SCHEMBL9037287

SCHEMBL9037287

Cc1c(N)c[nH]c1C(=O)Nc1n[nH]c(C(=O)Nc2n[nH]c(C(=O)NCCC(=N)N)c2C)c1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.38
GRM1 Q13255 2/20 0.32
TOP1 P11387 2/20 0.32
HRAS P01112 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HIF1A Q16665 1/20 0.31
RAB9A P51151 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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
SCHEMBL9039671 1.00 BDKRB1 (0.38) BDKRB1GRM1TOP1HRASESR1
Hydrochloric Acid SCHEMBL7808947 0.99 BDKRB1 (0.37) BDKRB1GRM1TOP1HRASESR1
Hydrochloric Acid SCHEMBL9038724 0.99 BDKRB1 (0.37) BDKRB1GRM1TOP1HRASESR1
SCHEMBL9040554 0.88 HRAS (0.36) BDKRB1TOP1HRASESR1ESR2
Hydrochloric Acid SCHEMBL7840873 0.85 BDKRB1 (0.35) BDKRB1GRM1
SCHEMBL9038538 0.83 BDKRB1 (0.34) BDKRB1
SCHEMBL9038066 0.83 BDKRB1 (0.33) BDKRB1
Hydrochloric Acid SCHEMBL7834143 0.83 BDKRB1 (0.33) BDKRB1
SCHEMBL9038576 0.83 BDKRB1 (0.33) BDKRB1
SCHEMBL9037076 0.83 BDKRB1 (0.33) BDKRB1

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-0722446-A1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1996-07-24 EP disclosed
WO-1996005196-A1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA S.P.A. (IT) 1996-02-22 WO disclosed