SCHEMBL21216554

SCHEMBL21216554

CN1CCC(F)(F)C(Cc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
CARM1 Q86X55 4/20 0.40
PRMT6 Q96LA8 4/20 0.40
CCR3 P51677 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PRMT3 O60678 1/20 0.39
PRMT1 Q99873 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL22623985 0.81 GRIN2D (0.43) ALDH1A1
SCHEMBL22984969 0.72 NPSR1 (0.41) NPSR1KMT2ALMNA
SCHEMBL25698481 0.71 NOS3 (0.40)
SCHEMBL31728345 0.71 NPSR1 (0.41) NPSR1ALDH1A1MAPTKMT2ALMNA
SCHEMBL28710684 0.71 ALDH1A1 (0.40) ALDH1A1
SCHEMBL14888179 0.71 NCF1 (0.39) NPSR1
SCHEMBL21946383 0.71 NPSR1 (0.35) NPSR1KMT2ALMNA
SCHEMBL13563553 0.70 TRPA1 (0.44)
SCHEMBL14930168 0.70 PRMT6 (0.50) CARM1PRMT6CCR3PRMT3PRMT1
Hydrochloric Acid SCHEMBL14311891 0.69 NCF1 (0.38) NPSR1

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-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
WO-2019147782-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-01 WO disclosed