SCHEMBL13788481

SCHEMBL13788481

C=C/C(=C\C=C/N)c1cc(-c2cn3cccnc3n2)c2[nH]c(NC(=O)NCC)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.36
▸ ALDH1A1 P00352 7/20 0.36
▸ GAA P10253 6/20 0.36
▸ GLA P06280 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ HPGD P15428 4/20 0.34
▸ HSD17B10 Q99714 4/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ TP53 P04637 2/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ POLB P06746 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL13823201 0.85 ABL1 (0.36) ABL1
SCHEMBL13823202 0.80 ABL1 (0.39) ABL1
SCHEMBL8997489 0.76 ABL1 (0.54) KDM4EALDH1A1GAAGLAABL1
SCHEMBL13788413 0.73 ABL1 (0.35) ABL1
SCHEMBL13823073 0.72 ABL1 (0.40) ABL1
SCHEMBL13788396 0.71 ABL1 (0.39) ABL1
SCHEMBL13788386 0.69 ABL1 (0.33) ABL1
SCHEMBL13788484 0.67 ABL1 (0.38) ABL1
SCHEMBL13823207 0.67 PIK3CA (0.32) ABL1
SCHEMBL14538439 0.66 ABL1 (0.45) ABL1

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-1592686-B1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2009-07-08 — — EP disclosed
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