SCHEMBL13890641

SCHEMBL13890641

Bc1cc(C)c(-n2c(C)c(C)c3c(N4CCCC(CC#N)C4)nc(C)nc32)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.48
TDP1 Q9NUW8 2/20 0.34
KHK P50053 1/20 0.31
JAK2 O60674 1/20 0.30
ABL1 P00519 1/20 0.30
KDR P35968 1/20 0.30
STAT3 P40763 1/20 0.30
GSK3B P49841 1/20 0.30
AURKB Q96GD4 1/20 0.30
MAP2K7 O14733 1/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1638215 0.91 CRHR1 (0.48) CRHR1TDP1KHKJAK2ABL1
SCHEMBL14276724 0.88 CRHR1 (0.50) CRHR1TDP1KHKMAP2K7ALDH1A1
SCHEMBL14276876 0.86 CRHR1 (0.48) CRHR1TDP1KHKMAP2K7
SCHEMBL13890636 0.86 CRHR1 (0.50) CRHR1TDP1MAP2K7KDM4EALDH1A1
SCHEMBL1638211 0.85 CRHR1 (0.49) CRHR1TDP1JAK2ABL1KDR
SCHEMBL1637710 0.82 CRHR1 (0.46) CRHR1TDP1JAK2ABL1KDR
SCHEMBL1637198 0.82 CRHR1 (0.38) CRHR1KHKKDM4EALDH1A1
SCHEMBL1636150 0.81 CRHR1 (0.64) CRHR1TDP1JAK2ABL1KDR
SCHEMBL1636308 0.79 CRHR1 (0.53) CRHR1TDP1JAK2ABL1KDR
SCHEMBL1638373 0.79 CRHR1 (0.53) CRHR1TDP1JAK2ABL1KDR

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-1787992-B1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO LTD (JP) 2009-04-29 EP disclosed