SCHEMBL2184636

SCHEMBL2184636

N#Cc1cccc(-n2cc(-n3ccc4cccnc43)cn2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.54
PTK2 Q05397 1/20 0.41
NOTUM Q6P988 1/20 0.39
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
ELANE P08246 1/20 0.36
CDC7 O00311 1/20 0.36
CDK2 P24941 1/20 0.36
KDM4D Q6B0I6 1/20 0.36

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
SCHEMBL4802257 0.75 CYP19A1 (0.52) GRM5PDE4BELANECDC7CDK2
SCHEMBL5216403 0.73 GRM5 (0.74) GRM5NOTUMKDM4EALDH1A1MAPT
SCHEMBL2294384 0.72 CDC7 (0.53) KDM4EMAPTCDC7CDK2
SCHEMBL3922456 0.70 GRM5 (1.00) GRM5KDM4EALDH1A1MAPTTSHR
SCHEMBL30795243 0.70 GRM5 (1.00) GRM5KDM4EALDH1A1MAPTTSHR
SCHEMBL2295440 0.69 CDC7 (0.56) KDM4ECDC7CDK2
SCHEMBL3921645 0.69 GRM5 (0.58) GRM5NOTUM
SCHEMBL4801964 0.69 CDC7 (0.41) CDC7CDK2
SCHEMBL30405693 0.68 CDC7 (0.51) PTK2KDM4EMAPTHTTCDC7
SCHEMBL415753 0.68 CDC7 (0.51) PTK2KDM4EMAPTHTTCDC7

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-2343299-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-13 EP disclosed