SCHEMBL27950945

SCHEMBL27950945

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.57
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CDK11A Q9UQ88 5/20 0.40
▸ CCNT1 O60563 4/20 0.40
▸ CDK4 P11802 4/20 0.40
▸ CCND1 P24385 4/20 0.40
▸ CDK9 P50750 4/20 0.40
▸ CDK6 Q00534 4/20 0.40
▸ AURKA O14965 3/20 0.40
▸ KDR P35968 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ CHUK O15111 1/20 0.38
▸ EPHA3 P29320 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
SCHEMBL26647638 0.92 PDE5A (0.57) PDE5AALDH1A1HPGDCDK11ACCNT1
SCHEMBL27950966 0.91 PDE5A (0.69) PDE5AALDH1A1HPGDCDK11ACCNT1
SCHEMBL29831892 0.88 PDE5A (0.76) PDE5AALDH1A1HPGD
SCHEMBL292190 0.88 PDE5A (0.76) PDE5AALDH1A1HPGD
SCHEMBL290899 0.86 PDE5A (0.53) PDE5AALDH1A1HPGDCDK11ACCNT1
SCHEMBL27937598 0.86 PDE5A (0.52) PDE5AALDH1A1HPGDCDK11ACCNT1
SCHEMBL20559620 0.85 PDE5A (0.76) PDE5AALDH1A1HPGDCDK11ACCNT1
SCHEMBL290609 0.85 PDE5A (0.52) PDE5AALDH1A1HPGDCDK11ACCNT1
SCHEMBL291478 0.85 PDE5A (0.50) PDE5AALDH1A1HPGDCDK11ACCNT1
SCHEMBL27950943 0.84 PDE5A (0.50) PDE5AALDH1A1HPGDCDK11ACCNT1

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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