SCHEMBL27950966

SCHEMBL27950966

Cc1nc(Nc2nc(N3CCC(O)CC3)cc(N3CCN(C)CC3)n2)sc1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.69
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CCNT1 O60563 3/20 0.41
▸ CDK4 P11802 3/20 0.41
▸ CCND1 P24385 3/20 0.41
▸ CDK9 P50750 3/20 0.41
▸ CDK6 Q00534 3/20 0.41
▸ CDK11A Q9UQ88 3/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ AURKA O14965 2/20 0.40
▸ TSHR P16473 1/20 0.39
▸ RIPK1 Q13546 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ PTGER4 P35408 2/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL20559620 0.95 PDE5A (0.76) PDE5AALDH1A1HPGDCCNT1CDK4
SCHEMBL26647638 0.93 PDE5A (0.57) PDE5AALDH1A1HPGDCCNT1CDK4
SCHEMBL27950945 0.91 PDE5A (0.57) PDE5AALDH1A1HPGDCCNT1CDK4
SCHEMBL27937571 0.89 PDE5A (0.64) PDE5AALDH1A1HPGDCCNT1CDK4
SCHEMBL29832145 0.88 PDE5A (0.91) PDE5AALDH1A1HPGDMAPTLMNA
SCHEMBL290788 0.88 PDE5A (0.91) PDE5AALDH1A1HPGDMAPTLMNA
SCHEMBL290592 0.87 PDE5A (0.66) PDE5AALDH1A1HPGDCCNT1CDK4
SCHEMBL291123 0.87 PDE5A (0.68) PDE5AALDH1A1HPGDCCNT1CDK4
SCHEMBL290899 0.87 PDE5A (0.53) PDE5AALDH1A1HPGDCCNT1CDK4
SCHEMBL27937598 0.87 PDE5A (0.52) PDE5AALDH1A1HPGDCCNT1CDK4

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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