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Sugi Predict / Compounds / SCHEMBL29856181

SCHEMBL29856181

SCHEMBL29856181

C#Cc1cc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ccc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 8/20 1.00
▸ ABL1 P00519 8/20 0.73
▸ FGFR1 P11362 3/20 0.71
▸ KDR P35968 2/20 0.71
▸ BRAF P15056 2/20 0.71
▸ CSF1R P07333 1/20 0.71

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
SCHEMBL4103102 1.00 KIT (1.00) KITABL1FGFR1KDRBRAF
SCHEMBL17936186 0.96 KIT (0.93) KITABL1FGFR1KDRBRAF
SCHEMBL30080773 0.96 KIT (0.93) KITABL1FGFR1KDRBRAF
SCHEMBL16755299 0.93 KIT (0.87) KITABL1FGFR1KDRBRAF
SCHEMBL28054397 0.93 KIT (0.86) KITABL1FGFR1KDRCSF1R
SCHEMBL16250591 0.92 KIT (0.85) KITABL1FGFR1KDRBRAF
SCHEMBL24503732 0.92 KIT (0.85) KITABL1FGFR1KDRBRAF
SCHEMBL18323290 0.92 KIT (0.85) KITABL1FGFR1KDRBRAF
SCHEMBL4095171 0.91 KIT (0.84) KITABL1FGFR1KDRBRAF
SCHEMBL15498098 0.90 KIT (0.82) KITABL1FGFR1KDRCSF1R

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
EP-3246327-B1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIV (CN) 2022-11-23 — — EP disclosed
CN-111484482-B Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof 北京赛特明强医药科技有限公司 2022-06-21 — — CN disclosed