SCHEMBL27754292

SCHEMBL27754292

CN1CCN(Cc2ccc(C(=O)Nc3ccc(CN)c(I)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 8/20 0.75
▸ BRAF P15056 11/20 0.65
▸ EGFR P00533 9/20 0.63
▸ CSF1R P07333 3/20 0.59

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
SCHEMBL27671596 0.90 KIT (0.68) KITBRAFEGFRCSF1R
SCHEMBL588917 0.90 KIT (0.93) KITBRAFEGFRCSF1R
SCHEMBL27933497 0.89 KIT (0.84) KITBRAFEGFRCSF1R
SCHEMBL28062998 0.86 KIT (0.76) KITBRAFEGFRCSF1R
SCHEMBL29493482 0.86 KIT (1.00) KITBRAFEGFRCSF1R
SCHEMBL588975 0.86 KIT (1.00) KITBRAFEGFRCSF1R
SCHEMBL19500735 0.86 KIT (0.82) KITBRAFEGFRCSF1R
SCHEMBL30080656 0.86 KIT (1.00) KITBRAFEGFRCSF1R
SCHEMBL15442316 0.85 KIT (0.81) KITBRAFEGFRCSF1R
SCHEMBL17537391 0.84 KIT (0.80) KITBRAFEGFRCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105837575-A 3-ethynyl pyrazolo pyrimidine derivative and preparation method and application thereof 四川大学 2016-08-10 — — CN disclosed
CN-103044432-B Bicyclic heteroaryl compounds 阿里亚德医药股份有限公司 2016-08-03 — — CN disclosed
CN-101490053-B Monocyclic Heteroaryl Compounds ARIAD PHARMA INC 2013-09-11 — — CN disclosed
CN-103044432-A Bicyclic heteroaryl compounds ARIAD PHARMA INC 2013-04-17 — — CN disclosed
CN-101489558-A Acetylenic heteroaryl compounds ARIAD PHARMA INC (US) 2009-07-22 — — CN disclosed
CN-101490053-A Monocyclic Heteroaryl Compounds ARIAD PHARMA INC (US) 2009-07-22 — — CN disclosed
CN-101389338-A Bicyclic heteroaryl compounds ARIAD PHARMA INC (US) 2009-03-18 — — CN disclosed
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