SCHEMBL6266401

SCHEMBL6266401

CCC(=O)N(c1ccc2c(c1)C(=Cc1c[nH]c3ccc(OC)cc13)C(=O)N2)C1CCCNC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.53
▸ NTRK3 Q16288 3/20 0.53
▸ NTRK2 Q16620 3/20 0.53
▸ PRKD3 O94806 1/20 0.53
▸ ABL1 P00519 1/20 0.53
▸ RET P07949 1/20 0.53
▸ PDGFRB P09619 1/20 0.53
▸ LTK P29376 1/20 0.53
▸ KDR P35968 1/20 0.53
▸ MAP2K2 P36507 1/20 0.53
▸ FLT3 P36888 1/20 0.53
▸ CSNK1A1 P48729 1/20 0.53
▸ CDK8 P49336 1/20 0.53
▸ CDK7 P50613 1/20 0.53
▸ MAP2K1 Q02750 1/20 0.53
▸ MST1R Q04912 1/20 0.53
▸ AURKB Q96GD4 1/20 0.53
▸ CLK4 Q9HAZ1 1/20 0.53
▸ ALK Q9UM73 1/20 0.53
▸ SYK P43405 12/20 0.52

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
SCHEMBL8411247 0.78 MAPK1 (0.70) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL8411239 0.78 MAPK1 (0.70) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL7780481 0.76 NTRK1 (0.83) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL8431563 0.75 NTRK1 (0.65) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL8431566 0.75 NTRK1 (0.65) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL5203073 0.74 NTRK1 (0.75) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL25194772 0.72 RPLP1 (0.49) —
SCHEMBL5201825 0.72 NTRK1 (0.75) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL8697609 0.72 NTRK1 (0.75) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL8583224 0.71 SYK (0.82) NTRK1NTRK3NTRK2PRKD3ABL1

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
WO-2005044181-A2 PROTECTION OF TISSUES AND CELLS FROM CYTOTOXIC EFFECTS OF IONIZING RADIATION BY ABL INHIBITORS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-05-19 — — WO claimed
WO-2005044181-A2 PROTECTION OF TISSUES AND CELLS FROM CYTOTOXIC EFFECTS OF IONIZING RADIATION BY ABL INHIBITORS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-05-19 — — WO disclosed
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