SCHEMBL26647638

SCHEMBL26647638

Cc1nc(Nc2nc(N3CCN(C)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 4/20 0.48
▸ HPGD P15428 1/20 0.48
▸ AURKA O14965 2/20 0.45
▸ TSHR P16473 1/20 0.44
▸ CCNT1 O60563 4/20 0.43
▸ CDK4 P11802 4/20 0.43
▸ CCND1 P24385 4/20 0.43
▸ CDK9 P50750 4/20 0.43
▸ CDK6 Q00534 4/20 0.43
▸ CDK11A Q9UQ88 4/20 0.43
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ SIK1 P57059 1/20 0.40
▸ SIK2 Q9H0K1 1/20 0.40
▸ SIK3 Q9Y2K2 1/20 0.40

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
SCHEMBL27937598 0.94 PDE5A (0.52) PDE5AALDH1A1HPGDAURKATSHR
SCHEMBL27950966 0.93 PDE5A (0.69) PDE5AALDH1A1HPGDAURKATSHR
SCHEMBL27950945 0.92 PDE5A (0.57) PDE5AALDH1A1HPGDAURKATSHR
SCHEMBL27950943 0.92 PDE5A (0.50) PDE5AALDH1A1HPGDAURKATSHR
SCHEMBL299899 0.88 PDE5A (0.47) PDE5AALDH1A1HPGDAURKATSHR
SCHEMBL290899 0.87 PDE5A (0.53) PDE5AALDH1A1HPGDAURKATSHR
SCHEMBL28020392 0.87 AURKA (0.48) PDE5AALDH1A1HPGDAURKA
SCHEMBL291478 0.87 PDE5A (0.50) PDE5AALDH1A1HPGDCCNT1CDK4
SCHEMBL290609 0.87 PDE5A (0.52) PDE5AALDH1A1HPGDAURKATSHR
SCHEMBL20559620 0.86 PDE5A (0.76) PDE5AALDH1A1HPGDTSHRCCNT1

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
EP-4275752-A2 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS Omeros Corporation (US) 2023-11-15 — — EP disclosed
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