SCHEMBL24403531

SCHEMBL24403531

C=C(C)Nc1ccc(CN2CCCN(C)CC2)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ KIT P10721 5/20 0.56
▸ SRC P12931 2/20 0.56
▸ NR1H2 P55055 1/20 0.55
▸ ABL1 P00519 2/20 0.54
▸ BRAF P15056 5/20 0.53
▸ FGFR4 P22455 3/20 0.51
▸ EGFR P00533 4/20 0.51
▸ CDK1 P06493 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ CDK8 P49336 1/20 0.49

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
SCHEMBL21479378 0.85 KIT (0.60) KDM4EALDH1A1POLBKITSRC
SCHEMBL14704590 0.84 KIT (0.66) KITSRCNR1H2ABL1BRAF
SCHEMBL31053459 0.84 KIT (0.66) KITSRCNR1H2ABL1BRAF
SCHEMBL20912769 0.81 KIT (0.71) KITSRCNR1H2ABL1BRAF
SCHEMBL30904911 0.81 KIT (0.71) KITSRCNR1H2ABL1BRAF
SCHEMBL4933270 0.81 KIT (0.65) KITSRCNR1H2ABL1BRAF
SCHEMBL19986829 0.81 KIT (0.68) KITSRCNR1H2ABL1BRAF
SCHEMBL20227773 0.81 KIT (0.65) KITSRCNR1H2ABL1BRAF
SCHEMBL29614753 0.81 KIT (0.65) KITSRCNR1H2ABL1BRAF
SCHEMBL31053443 0.80 FGFR4 (0.71) KITSRCNR1H2ABL1BRAF

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-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
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