SCHEMBL29119710

SCHEMBL29119710

Cc1cccn1Cc1ccc(NCC2CCN(C)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.42
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 0.41
CCNT1 O60563 2/20 0.40
PIM1 P11309 4/20 0.38
KCNH2 Q12809 3/20 0.38
PIM2 Q9P1W9 3/20 0.38
FLT3 P36888 2/20 0.38
PIM3 Q86V86 2/20 0.38
GAK O14976 1/20 0.38
STK10 O94804 1/20 0.38
YES1 P07947 1/20 0.38
RET P07949 1/20 0.38
PDGFRB P09619 1/20 0.38
CSNK2A2 P19784 1/20 0.38
ACVR1 Q04771 1/20 0.38
PKN1 Q16512 1/20 0.38
HASPIN Q8TF76 1/20 0.38
SIK2 Q9H0K1 1/20 0.38
SLK Q9H2G2 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
SCHEMBL29119670 0.89 CDK9 (0.45) CDK9USP1WDR48CCNT1PIM1
SCHEMBL24493185 0.79 CCNT1 (0.43) CDK9USP1WDR48CCNT1PIM1
SCHEMBL30578237 0.79 CCNT1 (0.43) CDK9USP1WDR48CCNT1PIM1
SCHEMBL13103482 0.78 CCNT1 (0.45) CDK9USP1WDR48CCNT1PIM1
SCHEMBL29650126 0.77 ITGB3 (0.40) CDK9USP1WDR48CCNT1PIM1
SCHEMBL29650108 0.75 CCNT1 (0.40) CDK9USP1WDR48CCNT1PIM1
SCHEMBL27096029 0.75 CCNT1 (0.40) CDK9USP1WDR48CCNT1PIM1
SCHEMBL27096001 0.74 CCNT1 (0.42) CDK9CCNT1PIM1KCNH2PIM2
SCHEMBL13118523 0.72 GRIN2B (0.57) CDK9USP1WDR48CCNT1USP30
SCHEMBL27096005 0.71 PIM1 (0.43) USP1WDR48CCNT1PIM1KCNH2

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-116745278-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2023-09-12 CN disclosed