SCHEMBL298062

SCHEMBL298062

O=C(O)c1cc2cccnc2n1Cc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
ATM Q13315 1/20 0.50
CCR9 P51686 2/20 0.47
GPR35 Q9HC97 1/20 0.46
CNR1 P21554 4/20 0.45
CNR2 P34972 4/20 0.45
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABCB11 O95342 1/20 0.42

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
SCHEMBL3005616 0.92 CCR2 (0.62) CCR2MEN1KMT2AKDM4EPTGDR2
SCHEMBL2539595 0.83 NOD2 (0.55) MEN1KMT2AKDM4EPTGDR2CYP1A2
SCHEMBL2815078 0.82 ATM (0.62) CCR2MEN1KMT2AKDM4ECYP1A2
SCHEMBL297540 0.81 CCR2 (0.46) CCR2MEN1KMT2ACCR9GPR35
SCHEMBL3757847 0.80 GPR35 (0.48) CCR2MEN1KMT2AKDM4ECYP1A2
SCHEMBL1100863 0.79 CCR2 (0.61) CCR2MEN1KMT2AKDM4ECYP1A2
SCHEMBL3009191 0.79 GPR35 (0.44) CCR2MEN1KMT2AKDM4EPTGDR2
SCHEMBL4395300 0.78 CCR2 (0.52) CCR2MEN1KMT2AKDM4ECYP1A2
SCHEMBL3259343 0.78 FDPS (0.48) CCR2MEN1KMT2AKDM4EPTGDR2
SCHEMBL298863 0.78 CCR9 (0.51) CCR2MEN1KMT2APTGDR2CCR9

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
EP-2106401-B1 DERIVATIVES OF PYRROLOPYRIDINE-2-CARBOXAMIDS, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2012-03-14 EP disclosed