SCHEMBL27950936

SCHEMBL27950936

Cc1nc(Nc2nc(-c3ccc(N)cc3)cc(N3CCC(O)CC3)n2)sc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.59
▸ CCNT1 O60563 1/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CDK6 Q00534 1/20 0.43
▸ CDK11A Q9UQ88 1/20 0.43
▸ IKBKB O14920 2/20 0.41
▸ HRH4 Q9H3N8 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CHUK O15111 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ EPHA3 P29320 1/20 0.36
▸ PTGER4 P35408 2/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ PTP4A3 O75365 1/20 0.35
▸ VCP P55072 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL27937575 0.92 PDE5A (0.60) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL26647596 0.90 PDE5A (0.58) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL27950964 0.90 PDE5A (0.62) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL291286 0.89 PDE5A (0.77) PDE5AALDH1A1HPGD
SCHEMBL27950930 0.89 PDE5A (0.61) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL27937605 0.89 PDE5A (0.59) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL27950958 0.88 PDE5A (0.56) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL20559620 0.87 PDE5A (0.76) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL27937611 0.87 PDE5A (0.71) PDE5AALDH1A1HPGDTDP1
SCHEMBL20559847 0.86 PDE5A (0.57) 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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