SCHEMBL6169974

SCHEMBL6169974

Cc1cccc(-c2cnc(NC3=CCOO3)s2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.46
CCR1 P32246 1/20 0.35
CCR8 P51685 1/20 0.35
CDK7 P50613 3/20 0.34
CHEK1 O14757 3/20 0.34
CDK4 P11802 1/20 0.34
MAPK14 Q16539 1/20 0.34
KIT P10721 2/20 0.34
FLT3 P36888 2/20 0.34
CCNT1 O60563 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34
CCNA1 P78396 1/20 0.34

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
SCHEMBL6169965 0.79 KDR (0.46) KDRCCR1CCR8CDK7CHEK1
SCHEMBL13680697 0.75 KDR (0.51) KDRCCR1CCR8CDK7MAPK14
SCHEMBL15859041 0.68 CCR1 (0.54) KDRCCR1CCR8MAPK14
SCHEMBL6169672 0.68 KDR (0.44) KDRCDK7CDK4MAPK14KIT
SCHEMBL13680693 0.66 CCR1 (0.50) KDRCCR1CCR8MAPK14
SCHEMBL13680698 0.64 CCR1 (0.47) KDRCCR1CCR8MAPK14
SCHEMBL13680692 0.64 DYRK1A (0.56) KDRCCR1CCR8MAPK14
SCHEMBL7237397 0.64 KDR (1.00) KDRCDK7CHEK1
SCHEMBL13681316 0.63 LOXL2 (0.50) KDRCCR1CCR8
SCHEMBL14606354 0.61 CCR1 (0.62) KDRCCR1CCR8MAPK14

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
EP-1542994-A1 NOVEL TRIAZOLE AND OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR Pfizer Products Inc. (US) 2005-06-22 EP disclosed
WO-2004026863-A1 NOVEL OXAZOLE AND THIAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PRODUCTS INC. (US) 2004-04-01 WO disclosed