SCHEMBL26046857

SCHEMBL26046857

Cc1ccc(Nc2nc(C#N)c(F)cc2C(=O)NOCC(C)C)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 16/20 0.40
▸ KDR P35968 1/20 0.40
▸ MAPK1 P28482 2/20 0.36
▸ MAP2K2 P36507 4/20 0.36
▸ BRAF P15056 1/20 0.36
▸ MAP2K5 Q13163 1/20 0.36
▸ CSF1R P07333 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 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
SCHEMBL24195794 0.89 MAP2K1 (0.51) MAP2K1KDRMAP2K2CSF1RHDAC3
SCHEMBL24195909 0.89 MAP2K1 (0.50) MAP2K1MAP2K2MAP2K5
SCHEMBL24195670 0.88 MAP2K1 (0.46) MAP2K1MAP2K2MAP2K5
SCHEMBL24195907 0.87 MAP2K1 (0.40) MAP2K1MAP2K2CSF1RHDAC3HDAC1
SCHEMBL26046827 0.87 MAP2K1 (0.42) MAP2K1KDRMAPK1MAP2K2BRAF
SCHEMBL24195776 0.87 MAP2K1 (0.40) MAP2K1MAP2K2CSF1RHDAC3HDAC1
SCHEMBL24196118 0.86 MAP2K1 (0.52) MAP2K1KDRMAP2K2
SCHEMBL24196126 0.85 MAP2K1 (0.42) MAP2K1MAP2K2MAP2K5CSF1RHDAC3
SCHEMBL24196127 0.85 MAP2K1 (0.43) MAP2K1MAP2K2HDAC3HDAC1HDAC6
SCHEMBL24196109 0.84 HDAC1 (0.39) MAP2K1KDRMAP2K2CSF1RHDAC3

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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