SCHEMBL28054362

SCHEMBL28054362

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)cc3)cc2C(F)(F)F)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.65
▸ KIT P10721 2/20 0.65
▸ CLK1 P49759 1/20 0.64
▸ BRAF P15056 2/20 0.64
▸ ATM Q13315 2/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ HCK P08631 2/20 0.61
▸ NR2C2 P49116 2/20 0.61
▸ MAPT P10636 3/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ MAPK14 Q16539 3/20 0.61
▸ MAP3K7 O43318 2/20 0.61
▸ MAP4K2 Q12851 2/20 0.61
▸ FES P07332 1/20 0.61
▸ FER P16591 1/20 0.61
▸ GCK P35557 1/20 0.61
▸ MAP3K20 Q9NYL2 2/20 0.60

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
SCHEMBL29562197 0.92 KIT (0.77) KITBRAF
SCHEMBL14318406 0.92 KIT (0.77) KITBRAF
Hydrochloric Acid SCHEMBL29833672 0.91 KIT (0.75) KITBRAF
SCHEMBL30032225 0.90 KIT (0.66) KITBRAF
SCHEMBL27997207 0.88 KIT (0.61) HTTKITCLK1BRAFMAPT
SCHEMBL30309801 0.88 KIT (0.69) HTTKITCLK1BRAFATM
SCHEMBL26680109 0.88 KIT (0.69) HTTKITCLK1BRAFATM
SCHEMBL3389535 0.87 HTT (0.71) HTTKITCLK1BRAFATM
SCHEMBL16236899 0.87 KIT (0.86) HTTKITCLK1BRAFATM
SCHEMBL27088109 0.87 RET (0.64) HTTKITCLK1BRAFATM

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-3473624-B1 NOVEL IMIDAZOPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER DAEGU GYEONGBUK MEDICAL INNOVATION FOUND (KR) 2022-05-11 — — EP disclosed
CN-103467385-B Bicyclic heteroaryl compounds ARIAD GENE THERAPEUTICS INC. (US) 2016-03-09 — — CN disclosed
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