SCHEMBL7707025

SCHEMBL7707025

COc1ccc(COC2=NC=CC(CC#N)N2c2nc3ccccc3s2)cc1.N#CCC1C=CN=C(OCCCc2ccccn2)N1c1nc2ccccc2s1.N#CCC1C=CN=C(OCc2ccc(-c3cccnc3)cc2)N1c1nc2ccccc2s1.N#CCC1C=CN=C(OCc2ccccn2)N1c1nc2ccccc2s1.N#CCC1C=CN=C(OCc2ccncc2)N1c1nc2ccccc2s1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.32
RAB9A P51151 1/20 0.31
SYK P43405 1/20 0.30
AURKB Q96GD4 1/20 0.30
INCENP Q9NQS7 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL4192500 0.85 NAAA (0.42) NAAARAB9ALMNAMAPT
SCHEMBL7707443 0.81 RAB9A (0.44) RAB9AMEN1LMNAMAPTKMT2A
SCHEMBL4194795 0.81 ALDH1A1 (0.32) RAB9AMEN1LMNAMAPTKMT2A
SCHEMBL7707461 0.79 CYP11B1 (0.36) RAB9AMEN1LMNAMAPTKMT2A
SCHEMBL4202435 0.79 RAB9A (0.32) RAB9AMEN1LMNAMAPTKMT2A
SCHEMBL4203404 0.79 PTGS1 (0.36) RAB9AMEN1LMNAMAPTKMT2A
SCHEMBL4203402 0.78 RAB9A (0.43) RAB9AMEN1LMNAMAPTKMT2A
SCHEMBL4197270 0.77 PTGS1 (0.36) RAB9AMEN1MAPTKMT2A
SCHEMBL4192595 0.77 MAPK9 (0.36) RAB9AMEN1LMNAKMT2A
SCHEMBL7710188 0.76 LMNA (0.40) RAB9AMEN1LMNAMAPTKMT2A

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-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP claimed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO claimed