SCHEMBL8711337

SCHEMBL8711337

COc1cc(Nc2ccc(C)c(O)c2)c2n[c][nH]c2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.42
▸ RET P07949 2/20 0.42
▸ KIF5B P33176 2/20 0.42
▸ BRAF P15056 2/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38
▸ TUBB2A Q13885 1/20 0.38
▸ TUBB8 Q3ZCM7 1/20 0.38
▸ TUBA3E Q6PEY2 1/20 0.38
▸ TUBA1A Q71U36 1/20 0.38
▸ TUBA1C Q9BQE3 1/20 0.38
▸ TUBB6 Q9BUF5 1/20 0.38
▸ TUBB2B Q9BVA1 1/20 0.38
▸ TUBB1 Q9H4B7 1/20 0.38

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
SCHEMBL27561680 0.67 KDR (0.45) KDRRETKIF5BBRAFRAF1
SCHEMBL6434027 0.64 EGFR (0.72) KDRRETKIF5BBRAFRAF1
SCHEMBL5246618 0.64 KDR (0.59) KDRRETKIF5BBRAFRAF1
SCHEMBL27582103 0.61 KDR (0.40) KDRRETKIF5BBRAFRAF1
SCHEMBL5651286 0.60 KDR (1.00) KDRRETKIF5BBRAFRAF1
SCHEMBL27561352 0.59 KDR (0.47) KDRRETKIF5BBRAFRAF1
Hydrochloric Acid SCHEMBL7859467 0.59 KDR (0.98) KDRRETKIF5BBRAFRAF1
SCHEMBL5713660 0.59 TUBB4A (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11644959 0.59 ALDH1A1 (0.42) KDRRETKIF5BBRAFRAF1
SCHEMBL5713611 0.59 MAPT (0.72) KDRRETKIF5BTUBB4ATUBB

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-0873319-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-10-28 — — EP claimed
WO-1997022596-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-06-26 — — WO claimed
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