SCHEMBL27950934

SCHEMBL27950934

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 2/20 0.53
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ PAX8 Q06710 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ 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
▸ TP53 P04637 1/20 0.36
▸ PTGER4 P35408 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ RAF1 P04049 5/20 0.36

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
SCHEMBL291287 0.90 PDE5A (0.70) PDE5ANPC1RAB9AMEN1KMT2A
SCHEMBL27950940 0.88 PDE5A (0.54) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL27937575 0.87 PDE5A (0.60) PDE5AMEN1KMT2ACCNT1CDK4
SCHEMBL27950936 0.86 PDE5A (0.59) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL26647667 0.85 XDH (0.52) PDE5ANPC1RAB9AMEN1KMT2A
SCHEMBL26647596 0.85 PDE5A (0.58) PDE5ARAB9ACCNT1CDK4CCND1
SCHEMBL27950964 0.84 PDE5A (0.62) PDE5ANPC1CCNT1CDK4CCND1
SCHEMBL27950930 0.84 PDE5A (0.61) PDE5ANPC1RAB9AMEN1KMT2A
SCHEMBL27937605 0.84 PDE5A (0.59) PDE5ANPC1CCNT1CDK4CCND1
SCHEMBL27950958 0.83 PDE5A (0.56) PDE5AMEN1KMT2ACCNT1CDK4

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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