SCHEMBL9037622

SCHEMBL9037622

O=c1[nH]c(=O)c2c(NCc3ccccc3)ccnc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.48
IGF1R P08069 6/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
UTS2R Q9UKP6 2/20 0.46
HSD17B10 Q99714 1/20 0.45
AURKA O14965 1/20 0.45
BACE1 P56817 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KDM6B O15054 1/20 0.43
KDM4A O75164 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
KDM4C Q9H3R0 1/20 0.43

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
SCHEMBL3454287 0.84 AURKA (0.64) EGFRIGF1RFLT4KDRUTS2R
SCHEMBL9039890 0.77 MEN1 (0.52) EGFRIGF1RFLT4KDRHSD17B10
SCHEMBL18879069 0.75 AURKA (0.48) UTS2RAURKA
SCHEMBL6525870 0.75 AURKA (0.56) FLT4AURKA
SCHEMBL6525271 0.72 EGFR (0.59) EGFRIGF1RUTS2RAURKAKDM4E
SCHEMBL9037748 0.72 AURKA (0.39) IGF1RKDRUTS2RAURKAKDM4E
SCHEMBL3454522 0.71 AURKA (0.74) FLT4AURKA
SCHEMBL8103118 0.71 HSD17B10 (0.51) HSD17B10BACE1PKMKDM4EKDM6B
SCHEMBL407352 0.70 AURKA (0.43) EGFRIGF1RFLT4KDRUTS2R
SCHEMBL6521513 0.70 AURKA (0.56) EGFRIGF1RAURKA

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-0696590-A1 Pyrido[2,3-d]pyrimidine derivatives, their preparation and their use as anti-asthma agents NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1996-02-14 EP disclosed