SCHEMBL13480792

SCHEMBL13480792

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 15/20 0.47
MAPK13 O15264 2/20 0.47
MAPK12 P53778 2/20 0.47
MAPK11 Q15759 2/20 0.47
MAPK14 Q16539 2/20 0.47
PRKD3 O94806 1/20 0.47
PRKCG P05129 1/20 0.47
PRKCB P05771 1/20 0.47
SRC P12931 1/20 0.47
PRKCA P17252 1/20 0.47
PRKCH P24723 1/20 0.47
PRKCI P41743 1/20 0.47
PRKCE Q02156 1/20 0.47
MAP2K1 Q02750 1/20 0.47
PRKCQ Q04759 1/20 0.47
PRKCZ Q05513 1/20 0.47
PRKCD Q05655 1/20 0.47
PRKD1 Q15139 1/20 0.47
EGFR P00533 5/20 0.45
EIF2AK2 P19525 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
SCHEMBL13481309 0.90 MAP3K8 (0.38) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL13480787 0.86 EGFR (0.50) MAP3K8EGFRERBB2
SCHEMBL13480786 0.86 MAP3K8 (0.67) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL13480784 0.84 EGFR (0.51) MAP3K8EGFRERBB2
SCHEMBL13480789 0.82 EGFR (0.54) MAP3K8SRCEGFRERBB2
SCHEMBL13480746 0.79 EGFR (0.66) MAP3K8SRCPRKCQPRKCDEGFR
SCHEMBL13480765 0.79 EGFR (0.54) MAP3K8EGFRERBB2
SCHEMBL3192981 0.78 EGFR (0.67) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL13480793 0.77 EGFR (0.56) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL13480745 0.76 EGFR (0.69) MAP3K8MAPK13MAPK12MAPK11MAPK14

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