SCHEMBL13480784

SCHEMBL13480784

N#Cc1cnc2nc(Nc3ccc(O)nc3)sc2c1Nc1ccc(F)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.51
ERBB2 P04626 2/20 0.47
MAP3K8 P41279 10/20 0.47
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL13480787 0.90 EGFR (0.50) EGFRERBB2MAP3K8
SCHEMBL13481371 0.89 EGFR (0.41) EGFRERBB2MAP3K8LMNA
SCHEMBL13480789 0.86 EGFR (0.54) EGFRERBB2MAP3K8MEN1KMT2A
SCHEMBL13480792 0.84 MAP3K8 (0.47) EGFRERBB2MAP3K8
SCHEMBL13480746 0.82 EGFR (0.66) EGFRERBB2MAP3K8
SCHEMBL13480765 0.82 EGFR (0.54) EGFRERBB2MAP3K8
SCHEMBL3192981 0.81 EGFR (0.67) EGFRMAP3K8
SCHEMBL3193466 0.80 EGFR (0.52) EGFRERBB2MAP3K8
SCHEMBL13480745 0.79 EGFR (0.69) EGFRERBB2MAP3K8
SCHEMBL3195945 0.78 EGFR (0.50) EGFRERBB2MAP3K8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659284-B2 Inhibitors of ATP-protein kinase; 7-(3-chloro-4-fluoro-phenylamino)-2-(4-pyrrolidin-1-ylmethyl-phenylamino)-thiazolo[4,5-b]pyridine-6-carbonitrile JANSSEN PHARMACEUTICA NV (BE) 2010-02-09 US disclosed
US-7659284-B2 Inhibitors of ATP-protein kinase; 7-(3-chloro-4-fluoro-phenylamino)-2-(4-pyrrolidin-1-ylmethyl-phenylamino)-thiazolo[4,5-b]pyridine-6-carbonitrile JANSSEN PHARMACEUTICA NV (BE) 2010-02-09 US disclosed