SCHEMBL27950940

SCHEMBL27950940

Cc1nc(Nc2nc(-c3ccc(NC(=O)OC(C)(C)C)cc3)cc(N3CCC(O)CC3)n2)sc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 3/20 0.54
▸ CHRM1 P11229 1/20 0.40
▸ LCK P06239 5/20 0.37
▸ PRKDC P78527 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CDK6 Q00534 1/20 0.36
▸ CDK11A Q9UQ88 1/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ AURKA O14965 4/20 0.35
▸ KDR P35968 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ PDPK1 O15530 3/20 0.35
▸ AURKB Q96GD4 3/20 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
SCHEMBL29832279 0.91 PDE5A (0.69) PDE5A
SCHEMBL291083 0.91 PDE5A (0.69) PDE5A
SCHEMBL27950934 0.88 PDE5A (0.53) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL27937575 0.85 PDE5A (0.60) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL27950936 0.84 PDE5A (0.59) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL26647667 0.84 XDH (0.52) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL27950930 0.84 PDE5A (0.61) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL26647596 0.84 PDE5A (0.58) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL27950964 0.83 PDE5A (0.62) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL27937605 0.82 PDE5A (0.59) PDE5ACCNT1CDK4CCND1CDK9

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
CN-103547267-A Treatment of addiction and impulse control disorders using PDE7 inhibitors OMEROS CORP 2014-01-29 — — CN disclosed
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