SCHEMBL29967530

SCHEMBL29967530

CN1CCN(Cc2ccc(NC(=O)c3ccc4c(c3)N(Cc3cnc5[nH]nc(Br)c5c3)CC4)cc2C(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 7/20 0.54
▸ BCR P11274 2/20 0.54
▸ EGFR P00533 12/20 0.53
▸ BRAF P15056 12/20 0.53
▸ KIT P10721 1/20 0.52
▸ FGFR1 P11362 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ LRRK2 Q5S007 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL27081695 1.00 ABL1 (0.54) ABL1BCREGFRBRAFKIT
SCHEMBL27081498 0.92 ABL1 (0.58) ABL1BCREGFRBRAFKIT
SCHEMBL29967913 0.92 ABL1 (0.58) ABL1BCREGFRBRAFKIT
SCHEMBL27081777 0.89 FGFR1 (0.53) ABL1BCREGFRBRAFKIT
SCHEMBL29968011 0.88 ABL1 (0.53) ABL1BCREGFRBRAFKIT
SCHEMBL27081727 0.88 ABL1 (0.53) ABL1BCREGFRBRAFKIT
SCHEMBL27083097 0.87 EGFR (0.68) ABL1BCREGFRBRAFFGFR1
SCHEMBL27083161 0.86 BRAF (0.68) ABL1BCREGFRBRAFKIT
SCHEMBL27082256 0.85 BRAF (0.58) ABL1BCREGFRBRAFKIT
SCHEMBL27083160 0.85 BRAF (0.68) ABL1BCREGFRBRAFKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313972-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-02-07 — — EP disclosed
CN-117062812-A Indoline derivatives as DDR inhibitors 奇斯药制品公司 2023-11-14 — — CN disclosed
WO-2022200577-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-09-29 — — WO disclosed
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