SCHEMBL20998651

SCHEMBL20998651

CNc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 17/20 0.83
▸ BCR P11274 15/20 0.83
▸ PDGFRA P16234 12/20 0.83
▸ PDGFRB P09619 11/20 0.83
▸ SRC P12931 7/20 0.81
▸ PRKCA P17252 6/20 0.81
▸ PRKCD Q05655 3/20 0.81
▸ PRKD3 O94806 1/20 0.81
▸ PRKCG P05129 1/20 0.81
▸ PRKCB P05771 1/20 0.81
▸ PRKCH P24723 1/20 0.81
▸ PRKCI P41743 1/20 0.81
▸ PRKCE Q02156 1/20 0.81
▸ PRKCQ Q04759 1/20 0.81
▸ PRKCZ Q05513 1/20 0.81
▸ PRKD1 Q15139 1/20 0.81
▸ ABL2 P42684 2/20 0.80
▸ MAPK8 P45983 1/20 0.69
▸ MAPK9 P45984 1/20 0.69
▸ MAPK10 P53779 1/20 0.69

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
SCHEMBL9763 0.91 ABL1 (1.00) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL9197 0.89 ABL1 (1.00) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL1430 0.89 ABL1 (1.00) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL9565 0.89 ABL1 (1.00) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL20204862 0.89 ABL1 (1.00) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL10208 0.89 ABL1 (0.82) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL1522 0.88 ABL1 (1.00) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL4901151 0.88 ABL1 (0.80) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL20204860 0.87 MAPK8 (0.79) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL14979753 0.86 PDGFRA (0.79) ABL1BCRPDGFRAPDGFRBSRC

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-2822935-B1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA FARBER CANCER INST INC (US) 2019-05-15 — — EP disclosed
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