SCHEMBL7548296

SCHEMBL7548296

O=c1ccc2cnc(S)nc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.39
PDE3A Q14432 4/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 5/20 0.35
CA9 Q16790 5/20 0.35
CA1 P00915 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35

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
SCHEMBL3745415 0.77 MAPK8 (0.41) PDE3BPDE3AMAPK8MAPK9MAPK10
SCHEMBL1983844 0.77 ALDH1A1 (0.43) PDE3BPDE3AMAPK8MAPK9MAPK10
SCHEMBL27103142 0.77 TYRO3 (0.50) PDE3BPDE3AMAPK8MAPK9MAPK10
SCHEMBL21455110 0.73 MAPK8 (0.39) PDE3BPDE3AMAPK8MAPK9MAPK10
SCHEMBL22652124 0.73 MAPK8 (0.44) PDE3BPDE3AMAPK8MAPK9MAPK10
SCHEMBL29828263 0.73 MAPK8 (0.36) PDE3BPDE3AMAPK8MAPK9MAPK10
SCHEMBL22652309 0.73 MAPK8 (0.39) PDE3BPDE3AMAPK8MAPK9MAPK10
SCHEMBL660796 0.73 MEN1 (0.40) PDE3BPDE3AMAPK8MAPK9MAPK10
SCHEMBL31474510 0.72 MAPK8 (0.39) PDE3BPDE3AMAPK8MAPK9MAPK10
SCHEMBL2234905 0.72 NPC1 (0.42) PDE3BPDE3AALDH1A1LMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254137-A1 PYRIDO 2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-11-06 EP disclosed
WO-2001055147-A1 PYRIDO[2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-08-02 WO disclosed