SCHEMBL10650101

SCHEMBL10650101

CSc1nc(NN)cc(N2CCOCC2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
KDM4E B2RXH2 4/20 0.48
MAPT P10636 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TYK2 P29597 1/20 0.46
SYK P43405 1/20 0.46
BRSK1 Q8TDC3 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
PIK3CB P42338 2/20 0.41

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
SCHEMBL20153234 0.81 KMT2A (0.58) KMT2AKDM4EMAPTRXFP1HSD17B10
SCHEMBL1443100 0.81 GAA (0.53) KMT2AKDM4EMAPTTYK2SYK
SCHEMBL3170376 0.81 KMT2A (0.68) KMT2AKDM4EMAPTRXFP1HSD17B10
SCHEMBL1442249 0.79 KMT2A (0.59) KMT2AKDM4EMAPTTYK2SYK
SCHEMBL13119696 0.79 KMT2A (0.70) KMT2AKDM4EMAPTRXFP1HSD17B10
SCHEMBL1025786 0.78 KMT2A (1.00) KMT2AKDM4EMAPTRXFP1HSD17B10
SCHEMBL7120320 0.77 KMT2A (0.53) KMT2AKDM4EMAPTRXFP1HSD17B10
SCHEMBL2207007 0.76 KMT2A (0.55) KMT2AKDM4EMAPTRXFP1CRHBP
SCHEMBL15008988 0.76 KMT2A (0.49) KMT2AKDM4EMAPTRXFP1HSD17B10
SCHEMBL19687232 0.76 KMT2A (0.51) KMT2AKDM4EMAPTRXFP1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0121341-B1 TRIAZOLO(4,3-C)PYRIMIDINES AND TRIAZOLO(1,5-C)PYRIMIDINES SUBSTITUTED BY NITROGEN-CONTAINING HETEROCYCLIC RINGS RIKER LABORATORIES, INCORPORATED (US) 1988-11-17 EP disclosed
US-4572910-A BRONCHODILATORS RIKER LABORATORIES, INC. (US) 1986-02-25 US disclosed
US-4536579-A BRONCHODILATING AGENTS RIKER LABORATORIES, INC. (US) 1985-08-20 US disclosed
US-4477450-A BRONCHODILATORS RIKER LABORATORIES, INC. (US) 1984-10-16 US disclosed
EP-0121341-A1 Triazolo(4,3-c)pyrimidines and triazolo(1,5-c)pyrimidines substituted by nitrogen-containing heterocyclic rings RIKER LABORATORIES, INCORPORATED (US) 1984-10-10 EP disclosed