SCHEMBL28214567

SCHEMBL28214567

Fc1ccccc1-c1c[nH]c2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.50
PIM3 Q86V86 5/20 0.50
PIM2 Q9P1W9 4/20 0.50
KDM4E B2RXH2 2/20 0.49
CCNE2 O96020 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
TDO2 P48775 1/20 0.42
PSMD14 O00487 1/20 0.41
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
GSK3B P49841 1/20 0.39
PRKD3 O94806 1/20 0.38
PRKD1 Q15139 1/20 0.38
PRKD2 Q9BZL6 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
SCHEMBL28214573 0.81 PSMD14 (0.39) PIM1PIM3PIM2KDM4ECCNE2
SCHEMBL18418498 0.80 PSMD14 (0.41) PIM1TDO2PSMD14KDRFLT3
SCHEMBL20846334 0.80 PIM1 (0.56) PIM1PIM3PIM2CCNE2CCNE1
SCHEMBL28215217 0.80 TDO2 (0.42) PIM1PIM3PIM2TDO2PSMD14
SCHEMBL22510135 0.78 PSMD14 (0.48) KDM4ETDO2PSMD14L3MBTL1GRM4
SCHEMBL28214569 0.78 GRM4 (0.46) PIM1CDK2TDO2PSMD14KDR
SCHEMBL28215253 0.77 NR4A2 (0.56) PIM1CDK2TDO2PSMD14KDR
SCHEMBL28215207 0.76 MPL (0.42) PIM1CDK2TDO2PSMD14KDR
SCHEMBL17179382 0.75 IMPDH2 (0.49) PSMD14KDRFLT3GSK3BJAK2
SCHEMBL857182 0.73 TGFBR1 (0.57) PIM1KDM4ECCNE1CDK2FLT3

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
CN-108026094-A Substituted 4-azaindoles and their use as modulators of the G L UN2B receptor 詹森药业有限公司 2018-05-11 CN claimed
CN-108026094-A Substituted 4-azaindoles and their use as modulators of the G L UN2B receptor 詹森药业有限公司 2018-05-11 CN disclosed