SCHEMBL13480779

SCHEMBL13480779

N#Cc1cnc2nc(NCc3ccc(CN4CCOCC4)cc3)sc2c1Nc1ccc(F)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.59
MAP3K8 P41279 10/20 0.56
PRKCQ Q04759 2/20 0.54
PRKCD Q05655 2/20 0.54
MAPK13 O15264 1/20 0.54
PRKD3 O94806 1/20 0.54
PRKCG P05129 1/20 0.54
PRKCB P05771 1/20 0.54
SRC P12931 1/20 0.54
PRKCA P17252 1/20 0.54
PRKCH P24723 1/20 0.54
PRKCI P41743 1/20 0.54
MAPK12 P53778 1/20 0.54
PRKCE Q02156 1/20 0.54
MAP2K1 Q02750 1/20 0.54
PRKCZ Q05513 1/20 0.54
PRKD1 Q15139 1/20 0.54
MAPK11 Q15759 1/20 0.54
MAPK14 Q16539 1/20 0.54
ERBB2 P04626 3/20 0.49

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
SCHEMBL13480745 0.93 EGFR (0.69) EGFRMAP3K8PRKCQPRKCDMAPK13
SCHEMBL13480752 0.88 MAP3K8 (0.67) EGFRMAP3K8PRKCQPRKCDMAPK13
SCHEMBL3192981 0.86 EGFR (0.67) EGFRMAP3K8PRKCQPRKCDMAPK13
SCHEMBL13480767 0.83 EGFR (0.56) EGFRMAP3K8PRKCQPRKCDMAPK13
SCHEMBL13480793 0.82 EGFR (0.56) EGFRMAP3K8PRKCQPRKCDMAPK13
SCHEMBL13480786 0.81 MAP3K8 (0.67) EGFRMAP3K8PRKCQPRKCDMAPK13
SCHEMBL13480797 0.80 SRC (0.56) EGFRPRKCQPRKCDSRCMAP2K1
SCHEMBL5608396 0.80 MAP3K8 (0.56) EGFRMAP3K8PRKCQPRKCDMAPK13
SCHEMBL13480818 0.79 EGFR (0.55) EGFRMAP3K8PRKCQPRKCDMAPK13
SCHEMBL13480758 0.78 EGFR (0.53) EGFRMAP3K8PRKCQPRKCDMAPK13

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