SCHEMBL27937571

SCHEMBL27937571

Cc1nc(Nc2nc(N3CCC(O)CC3)cc(N3CCN(C)C(=O)C3)n2)sc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.64
CCNT1 O60563 2/20 0.41
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
CDK9 P50750 2/20 0.41
CDK6 Q00534 2/20 0.41
CDK11A Q9UQ88 2/20 0.41
ALDH1A1 P00352 5/20 0.39
HPGD P15428 1/20 0.39
IKBKB O14920 2/20 0.38
TSHR P16473 1/20 0.36
PTGER4 P35408 2/20 0.35
FGFR1 P11362 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CHUK O15111 1/20 0.34
NTRK1 P04629 1/20 0.34

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 0.90 PDE5A (0.76) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL27950966 0.89 PDE5A (0.69) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL291116 0.89 PDE5A (0.83) PDE5AALDH1A1HPGDMAPTLMNA
SCHEMBL29832187 0.89 PDE5A (0.83) PDE5AALDH1A1HPGDMAPTLMNA
SCHEMBL291123 0.83 PDE5A (0.68) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL290592 0.83 PDE5A (0.66) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL26647638 0.82 PDE5A (0.57) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL27950945 0.81 PDE5A (0.57) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL27937575 0.79 PDE5A (0.60) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL27950937 0.79 PDE5A (0.60) 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