SCHEMBL10946321

SCHEMBL10946321

CCc1nccn1C(C)c1nc(N)nc(N)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
TLR8 Q9NR97 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5091224 0.83 TLR7 (0.39) TSHRTLR8
SCHEMBL1695645 0.79 TSHR (0.44) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL11338052 0.78 TSHR (0.33) TSHRHRH4CDK1CCNB1CCNE1
SCHEMBL5604009 0.75 MAPT (0.33) TSHRHRH4
SCHEMBL28862101 0.74 TLR8 (0.34) TSHRTLR8ALDH1A1
SCHEMBL3025455 0.74 TLR8 (0.34) TSHRTLR8ALDH1A1
SCHEMBL4077931 0.74 MAPT (0.35) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL136105 0.72 BRD4 (0.43) ADORA3ADORA2AADORA2BADORA1
SCHEMBL20508884 0.71 MEN1 (0.45) ALDH1A1
SCHEMBL3763386 0.71 MEN1 (0.45) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4539218-A Synthetic resin BASF FARBEN & FASERN AG (DE) 1985-09-03 US disclosed
US-4522981-A ACRYLATE COPOLYMER HAVING BOTH HYDROXY GROUPS REACTED WITH PARTIALLY BLOCKED POLYIUSOCYANATE AND GLYCIDYL GROUPS; HEATING TO LIBERATE ISOCYANATE AND REACT WITH GLYCIDYL GROUPS BASF FARBEN & FASERN AG (DE) 1985-06-11 US disclosed
EP-0071812-B1 POWDER LACQUERS BASF Lacke + Farben AG (DE) 1985-02-20 EP disclosed
EP-0012566-B1 ELECTRIC WINDINGS AND PRODUCTION THEREOF Hitachi, Ltd. (JP) 1983-06-22 EP disclosed
EP-0071813-A2 Synthetic resin BASF Lacke + Farben AG (DE) 1983-02-16 EP disclosed
EP-0071812-A2 Powder lacquers BASF Lacke + Farben AG (DE) 1983-02-16 EP disclosed
US-4269894-A AS BINDERS FOR THE MULTILAYERED INSULATION; IMPREGNATING WITH A VARNISH OF EPOXY-ISOCYANATE RESIN; WATERPROOFING HITACHI, LTD. (JP) 1981-05-26 US disclosed
US-4222802-A SILICONE RESIN INSULATOR, IMPREGNATING WITH VARNISH OF AN EPOXY COMPOUND AND AN ISOCYANATE COMPOUND, CURING HITACHI, LTD. (JP) 1980-09-16 US disclosed
EP-0012566-A1 Electric windings and production thereof Hitachi, Ltd. (JP) 1980-06-25 EP disclosed
US-4130546-A EPOXY, ISOCYANATE, CURING AGNET, MODIFIED BUTADIENE POLYMER HITACHI CHEMICAL COMPANY, LTD. (JP) 1978-12-19 US disclosed
US-4129554-A PICRIC ACID, QUINONE, CHLORANIL, CYANOACETATE ESTER HITACHI CHEMICAL CO., LTD. (JP) 1978-12-12 US disclosed
US-4128531-A EPOXY, ISOCYANATE, CURING AGENT, HYDROXYLATED BUTADIENE POLYMER HITACHI CHEMICAL COMPANY, LTD. (JP) 1978-12-05 US disclosed