SCHEMBL13630645

SCHEMBL13630645

COc1ccc(N)cc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.52
CDC7 O00311 1/20 0.41
JAK2 O60674 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
CHUK O15111 2/20 0.38
INSR P06213 2/20 0.38
MAPK8 P45983 2/20 0.38
CAMKK2 Q96RR4 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
FLT3 P36888 1/20 0.37
TNF P01375 1/20 0.36
RAD52 P43351 1/20 0.36
GFER P55789 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PYGL P06737 1/20 0.36
PARP1 P09874 1/20 0.36
CRBN Q96SW2 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
SCHEMBL2197115 0.88 ADORA3 (0.44) BRD4CDC7ALDH1A1KDM4E
SCHEMBL12509464 0.88 MAPK8 (0.43) BRD4CDC7JAK2ALDH1A1CHUK
SCHEMBL2197511 0.86 BRD4 (0.46) BRD4CDC7CHUKINSRMAPK8
SCHEMBL2200930 0.86 JAK2 (0.52) BRD4JAK2ALDH1A1MEN1KMT2A
SCHEMBL2196927 0.85 CDC7 (0.54) BRD4CDC7ALDH1A1CHUKINSR
SCHEMBL12509465 0.84 CDC7 (0.42) BRD4CDC7JAK2CHUKINSR
SCHEMBL13630074 0.84 BRD4 (0.56) BRD4CDC7JAK2ALDH1A1KDM4C
SCHEMBL2200384 0.82 MEN1 (0.45) ALDH1A1MEN1KMT2ALMNA
SCHEMBL12509581 0.82 BRD4 (0.38) BRD4CDC7JAK2CHUKINSR
SCHEMBL13630719 0.80 BRD4 (0.42) BRD4CDC7ALDH1A1CHUKINSR

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-2116530-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-11-11 EP disclosed