SCHEMBL30578237

SCHEMBL30578237

CN1CCC(CNc2ccc(CN)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
USP30 Q70CQ3 1/20 0.40
FLT3 P36888 3/20 0.40
PIM1 P11309 2/20 0.40
KCNH2 Q12809 2/20 0.40
PIM3 Q86V86 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
GAK O14976 1/20 0.40
STK10 O94804 1/20 0.40
YES1 P07947 1/20 0.40
RET P07949 1/20 0.40
PDGFRB P09619 1/20 0.40
CSNK2A2 P19784 1/20 0.40
ACVR1 Q04771 1/20 0.40
PKN1 Q16512 1/20 0.40
HASPIN Q8TF76 1/20 0.40
SIK2 Q9H0K1 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
SCHEMBL24493185 1.00 CCNT1 (0.43) CCNT1KDM4ETSHRHSD17B10USP30
SCHEMBL506693 0.83 TPH1 (0.50) CCNT1KDM4ETSHRHSD17B10
SCHEMBL30578205 0.82 HRH4 (0.49) CCNT1USP30KCNH2EGLN2GRIN2B
SCHEMBL24493155 0.82 HRH4 (0.49) CCNT1USP30KCNH2EGLN2GRIN2B
SCHEMBL13103482 0.82 CCNT1 (0.45) CCNT1KDM4ETSHRHSD17B10USP30
SCHEMBL14147328 0.81 CYP11B1 (0.47) CCNT1FLT3PRKAG2JAK2JAK1
SCHEMBL27096001 0.80 CCNT1 (0.42) CCNT1KDM4ETSHRHSD17B10USP30
SCHEMBL29119710 0.79 CDK9 (0.42) CCNT1KDM4ETSHRHSD17B10USP30
SCHEMBL27095983 0.78 CCNT1 (0.41) CCNT1CDK9CHEK1
SCHEMBL29119670 0.78 CDK9 (0.45) CCNT1KDM4ETSHRHSD17B10USP30

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