SCHEMBL30080656

SCHEMBL30080656

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1I

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 5/20 1.00
▸ BRAF P15056 13/20 0.77
▸ EGFR P00533 11/20 0.73
▸ CSF1R P07333 1/20 0.67
▸ ABL1 P00519 1/20 0.67

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
SCHEMBL29493482 1.00 KIT (1.00) KITBRAFEGFRCSF1RABL1
SCHEMBL588975 1.00 KIT (1.00) KITBRAFEGFRCSF1RABL1
SCHEMBL588917 0.96 KIT (0.93) KITBRAFEGFRCSF1R
SCHEMBL590507 0.93 KIT (0.86) KITBRAFEGFRABL1
SCHEMBL16236899 0.92 KIT (0.86) KITBRAFEGFR
SCHEMBL27933497 0.91 KIT (0.84) KITBRAFEGFRCSF1R
SCHEMBL12871531 0.91 KIT (0.84) KITBRAFEGFRABL1
SCHEMBL12988951 0.91 KIT (0.83) KITBRAFEGFR
SCHEMBL19500735 0.90 KIT (0.82) KITBRAFEGFRCSF1R
SCHEMBL4100085 0.90 KIT (0.81) KITBRAFEGFRABL1

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 1 patent. 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
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