SCHEMBL9007771

SCHEMBL9007771

CCn1ccnc1-c1nc(N)nc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
TLR8 Q9NR97 2/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
ADORA2A P29274 3/20 0.35
ADORA1 P30542 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL3151691 0.71 ALDH1A1 (0.43) TSHRTLR8ADRA2AADRA2BADRA2C
SCHEMBL12643820 0.70
SCHEMBL2936291 0.69 ALDH1A1 (0.46) TSHRTLR8ADRA2AADRA2BADRA2C
SCHEMBL15769685 0.69 ALDH1A1 (0.50) TSHRTLR8ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7177916 0.69 KMT2A (0.43) TSHRADRA2AADRA2BADRA2CKMT2A
Hydrochloric Acid SCHEMBL7180472 0.69 KMT2A (0.43) TSHRADRA2AADRA2BADRA2CKMT2A
Hydrochloric Acid SCHEMBL7171336 0.69 KMT2A (0.43) TSHRADRA2AADRA2BADRA2CKMT2A
Hydrochloric Acid SCHEMBL7177034 0.69 KMT2A (0.43) TSHRADRA2AADRA2BADRA2CKMT2A
Hydrochloric Acid SCHEMBL7175727 0.69 KMT2A (0.43) TSHRADRA2AADRA2BADRA2CKMT2A
Hydrochloric Acid SCHEMBL7176630 0.69 KMT2A (0.43) TSHRADRA2AADRA2BADRA2CKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0431930-B1 Developer for electrophotography SHARP KK (JP) 1996-10-23 EP disclosed
US-5266433-A Imidazole additive SHARP KABUSHIKI KAISHA (JP) 1993-11-30 US disclosed
EP-0431930-A2 Developer for electrophotography SHARP KABUSHIKI KAISHA (JP) 1991-06-12 EP disclosed