SCHEMBL16257511

SCHEMBL16257511

CCOC(=O)c1ncnc(Nc2ccc3ccccc3c2)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.55
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 1/20 0.49
BRAF P15056 1/20 0.48
FGFR1 P11362 1/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KDR P35968 2/20 0.45
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
NPC1 O15118 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL16257512 0.89 EGFR (0.48) DHODHLMNAPOLBMAPTSMN1; SMN2
SCHEMBL16257608 0.89 HPGD (0.47) DHODHLMNAPOLBMAPTSMN1; SMN2
SCHEMBL16257591 0.89 EGFR (0.50) DHODHLMNAPOLBMAPTSMN1; SMN2
SCHEMBL16257589 0.84 CSNK2A2 (0.48) DHODHLMNAPOLBMAPTSMN1; SMN2
SCHEMBL16257575 0.84 MAPT (0.48) LMNAPOLBMAPTSMN1; SMN2RAB9A
SCHEMBL14318457 0.79 TP53 (0.65) DHODHLMNAPOLBMAPTSMN1; SMN2
SCHEMBL12179967 0.77 DHODH (0.52) DHODHLMNABRAFKDR
SCHEMBL2627315 0.75 SYK (0.60) DHODHLMNAMAPTSMN1; SMN2RAB9A
SCHEMBL16257513 0.74 CSF1R (0.45) MAPTRAB9AKDM4EALDH1A1KDR
SCHEMBL16257609 0.74 CSF1R (0.47) MAPTRAB9AKDM4EALDH1A1KDR

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
US-8946218-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
EP-2569295-B1 NEW CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed