SCHEMBL3384533

SCHEMBL3384533

O=C(Nc1cccc(-c2ccc3c(C(=O)O)n[nH]c3c2)c1)c1cc(N2CCC(O)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.54
RAF1 P04049 9/20 0.54
CSF1R P07333 1/20 0.48
NTRK1 P04629 2/20 0.48
NTRK2 Q16620 1/20 0.48
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
FGFR1 P11362 6/20 0.47
DDR2 Q16832 6/20 0.47
DDR1 Q08345 1/20 0.45
AAK1 Q2M2I8 1/20 0.42

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
SCHEMBL27845037 0.90 BRAF (0.64) BRAFRAF1CSF1RNTRK1ABL1
SCHEMBL3384170 0.89 BRAF (0.53) BRAFRAF1CSF1RNTRK1NTRK2
SCHEMBL3384692 0.86 BRAF (0.54) BRAFRAF1CSF1RABL1BCR
SCHEMBL3384315 0.82 BRAF (0.64) BRAFRAF1CSF1RNTRK1ABL1
SCHEMBL3382786 0.82 NTRK1 (0.56) CSF1RNTRK1NTRK2ABL1BCR
SCHEMBL3387590 0.79 BRAF (0.58) BRAFRAF1ABL1BCRFGFR1
SCHEMBL8739745 0.78 FGFR1 (0.41) BRAFRAF1FGFR1DDR2AAK1
SCHEMBL3383253 0.75 NTRK1 (0.59) CSF1RNTRK1NTRK2DDR2
SCHEMBL3384952 0.74 NR2E1 (0.56) BRAFRAF1CSF1RABL1BCR
SCHEMBL13459819 0.71 CSF1R (0.50) BRAFRAF1CSF1RNTRK1NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102239150-A Novel indazole derivatives or pharmaceutically acceptable salts thereof as protein kinase inhibitors for proliferative diseases treatment, and a pharmaceutical composition containing the same as an active ingredient KOREA INST SCI & TECH 2011-11-09 CN claimed
WO-2010064875-A2 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 WO claimed
CN-102239150-A Novel indazole derivatives or pharmaceutically acceptable salts thereof as protein kinase inhibitors for proliferative diseases treatment, and a pharmaceutical composition containing the same as an active ingredient KOREA INST SCI & TECH 2011-11-09 CN disclosed
WO-2010064875-A2 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 WO disclosed