SCHEMBL6029398

SCHEMBL6029398

COc1ccc(-c2cnc(CCC(=O)NC(C)(c3ccc4c(c3)CCC4)C3CCCNC3)nc2)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STK17B O94768 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AAK1 Q2M2I8 2/20 0.34
ALOX15 P16050 1/20 0.34
PDE5A O76074 1/20 0.34
HPGD P15428 1/20 0.34
ROCK2 O75116 1/20 0.34
AURKB Q96GD4 2/20 0.34
YES1 P07947 1/20 0.34
MAPK1 P28482 1/20 0.34
PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL6169605 0.88 LMNA (0.38) STK17BSMN1; SMN2LMNAHTTNPSR1
SCHEMBL6028819 0.87 KIT (0.39) PDE5AHPGDMAPK1
SCHEMBL6029743 0.80 KMT2A (0.41) SMN1; SMN2HTTHPGDMAPK1
SCHEMBL6029207 0.79 MCHR1 (0.38)
SCHEMBL6028621 0.78 LMNA (0.38) STK17BSMN1; SMN2LMNAHTTNPSR1
SCHEMBL6029331 0.76 LMNA (0.40) SMN1; SMN2LMNAHTTHPGD
SCHEMBL6029140 0.76 KIT (0.40) LMNANPSR1PDE5AHPGDMAPK1
SCHEMBL6030077 0.75 MEN1 (0.52) STK17BAAK1ALOX15HPGDROCK2
SCHEMBL6029135 0.72 KMT2A (0.35) STK17BSMN1; SMN2AAK1HPGDROCK2
SCHEMBL6029136 0.70 LMNA (0.47) STK17BSMN1; SMN2LMNAAAK1ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984643-B2 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2006-01-10 US disclosed
EP-1521582-A1 2,5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-04-13 EP disclosed
WO-2004004731-A1 2, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS IX F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 WO disclosed