SCHEMBL21187476

SCHEMBL21187476

Cc1ccnc(C)c1-c1ccc(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
NISCH Q9Y2I1 1/20 0.42
CYP17A1 P05093 2/20 0.40
CYP1A2 P05177 1/20 0.40
PTPN11 Q06124 1/20 0.39
MAPK14 Q16539 2/20 0.39
ROS1 P08922 1/20 0.39
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ABL1 P00519 1/20 0.37
CCNT1 O60563 1/20 0.37

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
SCHEMBL21187438 0.86 HSD11B1 (0.42) HSD11B1NISCHCYP17A1CYP1A2PTPN11
SCHEMBL21179333 0.78 CLK1 (0.46) HSD11B1NISCHCYP17A1PTPN11ABL1
SCHEMBL21187570 0.74 NISCH (0.42) HSD11B1NISCHCYP17A1MAPK14ROS1
SCHEMBL21187487 0.73 TDO2 (0.35) HSD11B1NISCHCYP17A1CYP1A2MAPK14
SCHEMBL21187496 0.73 NISCH (0.34) HSD11B1NISCHCYP17A1CYP1A2MAPK14
SCHEMBL24391199 0.72 KIT (0.42) MAPK14DRD1
SCHEMBL21187571 0.72 HSD11B1 (0.48) HSD11B1NISCHPTPN11
SCHEMBL6049437 0.72 PTPN11 (0.47) HSD11B1NISCHPTPN11PDE2APDE10A
SCHEMBL30941565 0.71 HSD11B1 (0.43) HSD11B1NISCHPTPN11ROS1NPC1
SCHEMBL30941648 0.71 HSD11B1 (0.47) HSD11B1NISCHPTPN11ROS1PDE2A

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
WO-2019141972-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed