SCHEMBL17210140

SCHEMBL17210140

CCNc1cc(NCC)ncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.48
DNM2 P50570 2/20 0.46
HRH4 Q9H3N8 5/20 0.41
HCAR3 P49019 1/20 0.38
HTR7 P34969 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.35
HRH3 Q9Y5N1 3/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL15114903 0.86 EGFR (0.46) EGFRL3MBTL1DNM2HRH4HCAR3
SCHEMBL10188164 0.84 EGFR (0.49) EGFRL3MBTL1DNM2HRH4ADRA2A
SCHEMBL374260 0.84 EGFR (0.53) EGFRL3MBTL1DNM2HCAR3MEN1
SCHEMBL19928665 0.82 HRH4 (0.49) EGFRL3MBTL1DNM2HRH4MEN1
SCHEMBL8346152 0.81 CYP2C19 (0.44) EGFRL3MBTL1MEN1KMT2AKDM4E
SCHEMBL21016525 0.81 EGFR (0.43) EGFRL3MBTL1DNM2HRH4HCAR3
SCHEMBL22725623 0.81 EGFR (0.43) EGFRL3MBTL1DNM2HRH4HCAR3
SCHEMBL22644598 0.80 CHEK1 (0.42) EGFRDNM2KDM4ECYP1A2CYP2D6
SCHEMBL2176219 0.78 EGFR (0.67) EGFRMEN1KMT2ATP53CYP1A2
SCHEMBL21016726 0.78 EGFR (0.41) EGFRL3MBTL1DNM2HRH4GRM5

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-2015164614-A1 JANUS KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-10-29 WO disclosed