SCHEMBL28406465

SCHEMBL28406465

Cc1[nH]c2c(-c3ccccc3)c(C#N)nn2c(=O)c1N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 15/20 0.45
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ ADORA2A P29274 2/20 0.40
▸ HPGD P15428 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ADRA2A P08913 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL20914241 0.83 MEN1 (0.42) MAT2AKDM4EALDH1A1HPGDTSHR
SCHEMBL20931263 0.81 MAT2A (0.43) MAT2AKDM4EALDH1A1HSD17B10POLB
SCHEMBL20914277 0.76 KDM5A (0.38) MAT2ATSHRGAAKMT2A
SCHEMBL19936241 0.76 MAT2A (0.56) MAT2AKDM4EALDH1A1HSD17B10GAA
SCHEMBL19927470 0.75 MAT2A (0.50) MAT2AKDM4EALDH1A1ADORA2AHPGD
SCHEMBL20913970 0.74 HSD17B10 (0.47) MAT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL20914119 0.74 PLAT (0.43) KDM4EALDH1A1GAA
SCHEMBL20931303 0.74 CDK5 (0.35) MAT2AKDM4EALDH1A1HPGDTSHR
SCHEMBL20931257 0.74 MDM2 (0.38) MAT2AKDM4ETSHRKMT2A
SCHEMBL19972091 0.73 MAT2A (0.51) MAT2AKDM4EALDH1A1HSD17B10

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
CN-111212839-A Pyrazolopyrimidinone compounds and uses thereof 艾杜罗生物科技公司 2020-05-29 — — CN disclosed
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