SCHEMBL29083258

SCHEMBL29083258

Cc1c(Oc2ccnc(NC(=O)NC3CC3)c2)ccc([N+](=O)[O-])c1C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
GCK P35557 3/20 0.42
KDR P35968 12/20 0.42
BRAF P15056 8/20 0.42
LMNA P02545 1/20 0.40
P2RX3 P56373 1/20 0.40
MET P08581 1/20 0.40

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
SCHEMBL29083242 0.87 KDR (0.52) KDRBRAFMET
SCHEMBL2551479 0.87 GCK (0.56) KMT2AGCKKDRBRAFLMNA
SCHEMBL29788823 0.87 GCK (0.56) KMT2AGCKKDRBRAFLMNA
SCHEMBL2550819 0.86 GCK (0.42) KMT2AGCKKDRBRAFP2RX3
SCHEMBL2557702 0.85 GCK (0.44) GCKKDRBRAFLMNAMET
SCHEMBL29083255 0.84 MEN1 (0.45) KMT2AGCKKDRBRAFLMNA
SCHEMBL29083236 0.84 GCK (0.45) GCKKDRBRAFMET
SCHEMBL29083232 0.82 ALDH1A1 (0.42) KMT2AGCKKDRLMNAMET
SCHEMBL29083248 0.82 POLB (0.42) KMT2AGCKKDRBRAFLMNA
SCHEMBL13504178 0.80 RAB9A (0.53) KMT2AKDRLMNA

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
CN-114907339-B 4- (4-aminophenoxy) pyridin-2-amine derivatives and use thereof 成都奥睿药业有限公司 2023-07-14 CN disclosed
CN-114907339-A 4- (4-aminophenoxy) pyridin-2-amine derivatives and uses thereof 成都奥睿药业有限公司 2022-08-16 CN disclosed