SCHEMBL28936188

SCHEMBL28936188

Clc1cc(Nc2ccccn2)ncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
MAPK10 P53779 1/20 0.50
GFER P55789 1/20 0.50
KMT2A Q03164 1/20 0.50
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50
HSF1 Q00613 1/20 0.50
LCK P06239 1/20 0.48
NPC1 O15118 1/20 0.47
KDR P35968 1/20 0.46
JAK2 O60674 2/20 0.46
JAK1 P23458 2/20 0.46
TYK2 P29597 2/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.45
ERBB3 P21860 1/20 0.45
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
GRM5 P41594 1/20 0.44
JAK3 P52333 1/20 0.43

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
SCHEMBL29919717 1.00 MEN1 (0.50) MEN1MAPK10GFERKMT2ACCNE1
SCHEMBL10172152 0.79 NPC1 (0.47) MEN1KMT2ANPC1JAK2TYK2
SCHEMBL29391624 0.78 KMT2A (0.76) MEN1MAPK10GFERKMT2ANPC1
SCHEMBL221242 0.78 KMT2A (0.76) MEN1MAPK10GFERKMT2ANPC1
SCHEMBL857502 0.78 NPC1 (0.63) MEN1KMT2ACDK2NPC1EGFR
SCHEMBL16926547 0.78 MEN1 (0.53) MEN1MAPK10GFERKMT2ANPC1
SCHEMBL4595845 0.77 KMT2A (0.48) MEN1MAPK10GFERKMT2ACDK2
SCHEMBL29919765 0.77 NPC1 (0.46) MEN1KMT2ANPC1JAK2TYK2
SCHEMBL28936138 0.77 NPC1 (0.46) MEN1KMT2ANPC1JAK2TYK2
SCHEMBL31247411 0.77 NPC1 (0.50) MEN1KMT2ALCKNPC1KDR

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-109020957-B Heterocyclic compounds as MNK inhibitors 南京天印健华医药科技有限公司(CN) 2023-01-13 CN disclosed