SCHEMBL4860243

SCHEMBL4860243

[c]1nccc2c1ccn2-c1c[nH]c2ccncc12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.36
CCNT1 O60563 1/20 0.30
PIM1 P11309 1/20 0.30
CDK9 P50750 1/20 0.30
HASPIN Q8TF76 1/20 0.30
NFATC1 O95644 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL7375006 0.69 TDO2 (0.45) CCNT1PIM1CDK9HASPIN
SCHEMBL6466793 0.62 ATM (0.34) HTR6GSK3B
SCHEMBL31530815 0.61 MAPT (0.48) HTR6
SCHEMBL2001443 0.60 CDK2 (0.40) HTR6PIM1HASPINNFATC1GSK3B
SCHEMBL21819208 0.60 PIK3CB (0.32)
SCHEMBL9377656 0.59 HTR6 (0.39) HTR6PIM1HASPINNFATC1GSK3B
SCHEMBL10587 0.59 PIM1 (0.59) HTR6CCNT1PIM1CDK9HASPIN
SCHEMBL16168495 0.59 HTR6 (0.56) HTR6CCNT1PIM1CDK9HASPIN
SCHEMBL3224448 0.59 ATM (0.52) HTR6CCNT1PIM1CDK9HASPIN
SCHEMBL2050489 0.59 HASPIN (0.59) HTR6CCNT1PIM1CDK9HASPIN

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
WO-2008157740-A2 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed