SCHEMBL18830090

SCHEMBL18830090

COc1ccc(N(N)c2nc(NC3CCC3)ncc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.44
▸ MAPK6 Q16659 10/20 0.41
▸ CCNA2 P20248 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CCNA1 P78396 2/20 0.40
▸ AURKA O14965 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MERTK Q12866 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ SHMT2 P34897 1/20 0.38
▸ GALR2 O43603 1/20 0.38
▸ GALR1 P47211 1/20 0.38

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
SCHEMBL18830136 0.98 SYK (0.42) SYKMAPK6CCNA2CDK2CCNA1
SCHEMBL18830257 0.97 MEN1 (0.43) SYKMAPK6CCNA2CDK2CCNA1
SCHEMBL18830434 0.91 MAPK6 (0.52) SYKMAPK6CDK2MERTK
SCHEMBL18830059 0.90 MAPK1 (0.43) SYKMAPK6
SCHEMBL18830094 0.90 CDK1 (0.46) MAPK6CDK2CTSLCTSSCTSK
SCHEMBL18830031 0.90 MAPK6 (0.42) SYKMAPK6MERTK
SCHEMBL18830424 0.89 CDK1 (0.46) MAPK6CCNA2CDK2CCNA1AURKA
SCHEMBL18830288 0.88 CDK2 (0.40) MAPK6CCNA2CDK2CCNA1AURKA
SCHEMBL18830128 0.88 MAPK6 (0.38) SYKMAPK6CCNA2CDK2CCNA1
SCHEMBL18830415 0.87 CDK1 (0.40) MAPK6CCNA2CDK2CCNA1MERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964649-B1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2017-05-10 — — EP disclosed
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