SCHEMBL26046834

SCHEMBL26046834

Cc1ccc(Nc2nc(C#N)ccc2C)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDR P35968 1/20 0.37
▸ TNF P01375 2/20 0.37
▸ CSNK1D P48730 1/20 0.36
▸ CSNK1G2 P78368 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL26046804 0.83 MEN1 (0.37) KDM4ENPSR1HSD17B10MEN1KMT2A
SCHEMBL24195652 0.82 MAP2K1 (0.45) MEN1KMT2AHDAC3HDAC1HDAC6
SCHEMBL24195906 0.81 HDAC1 (0.39) MEN1KMT2AHDAC3HDAC1HDAC6
SCHEMBL24195913 0.80 HPGD (0.41) KDM4ENPSR1HSD17B10MEN1KMT2A
SCHEMBL24196016 0.75 MAP2K1 (0.53) KDM4EKDRMAP2K2MAP2K1
SCHEMBL24195780 0.75 MAP2K1 (0.52) HDAC3HDAC1HDAC6MAP2K2MAP2K1
SCHEMBL24195660 0.74 MAP2K1 (0.48) MAP2K2MAP2K1
SCHEMBL24196062 0.73 MAP2K1 (0.42) HDAC3HDAC1HDAC6MAP2K2MAP2K1
SCHEMBL24196057 0.73 DHODH (0.35) KDM4ENPSR1HSD17B10MEN1KMT2A
SCHEMBL24196064 0.73 MAP2K1 (0.33) KDM4ENPSR1HSD17B10MEN1KMT2A

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-4233865-A2 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF SKIN CANCERS NFlection Therapeutics, Inc. (US) 2023-08-30 — — EP disclosed
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