SCHEMBL16199525

SCHEMBL16199525

C=Cc1ccnc2[nH]cc(C(=O)c3cccc(Cl)c3Cl)c12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.41
EGFR P00533 1/20 0.41
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK7 Q13164 1/20 0.39

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
SCHEMBL856983 0.85 CYP3A4 (0.47) BTKEGFRALDH1A1PKML3MBTL1
SCHEMBL858383 0.78 LRRK2 (0.49) BTKEGFRALDH1A1PKML3MBTL1
SCHEMBL857037 0.77 CYP1A2 (0.51) BTKEGFRALDH1A1PKMMAPK7
SCHEMBL857191 0.77 LRRK2 (0.49) BTKEGFRALDH1A1PKML3MBTL1
SCHEMBL856845 0.75 PIM1 (0.60) BTKALDH1A1PKML3MBTL1
SCHEMBL857272 0.75 LRRK2 (0.43) BTKEGFRALDH1A1PKML3MBTL1
SCHEMBL856895 0.74 PRKCI (0.51) BTKEGFRALDH1A1PKML3MBTL1
SCHEMBL856988 0.73 PRKAA1 (0.48) BTK
SCHEMBL1364351 0.73 PIM2 (0.45) BTKEGFRALDH1A1PKML3MBTL1
SCHEMBL857900 0.73 PIM2 (0.45) BTKEGFRALDH1A1PKML3MBTL1

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-1696920-B1 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON INC (US) 2014-10-29 EP disclosed