SCHEMBL19288564

SCHEMBL19288564

COc1cc(P(C)(C)=O)ccc1N(N)c1cc(Cl)ncn1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 6/20 0.36
▸ IGF1R P08069 6/20 0.36
▸ ALK Q9UM73 6/20 0.36
▸ POLQ O75417 1/20 0.32

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
SCHEMBL11916220 0.71 INSR (0.52) INSRIGF1RALK
SCHEMBL19313005 0.69 ALK (0.43) INSRIGF1RALKPOLQ
SCHEMBL19288797 0.69 NPC1 (0.38) —
SCHEMBL1491772 0.64 ALDH1A1 (0.53) INSRIGF1RALK
Hydrochloric Acid SCHEMBL11900704 0.62 ALDH1A1 (0.53) INSRIGF1RALK
SCHEMBL12018596 0.62 TAS1R3 (0.39) INSRIGF1RALKPOLQ
SCHEMBL18338693 0.62 INSR (0.37) INSRIGF1RALKPOLQ
SCHEMBL9685872 0.61 NPC1 (0.39) —
SCHEMBL25033630 0.60 MAOB (0.53) —
SCHEMBL1491622 0.60 ALDH1A1 (0.52) —

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-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 — — EP disclosed
Send feedback