SCHEMBL5643779

SCHEMBL5643779

Cc1c(C(=O)O)c(C)n(C(On2nnc3cccnc32)C(O)C(N)=O)c1C=C1C(=O)Nc2ccc(OC(F)(F)F)cc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.38
▸ TGM2 P21980 1/20 0.32
▸ TLK2 Q86UE8 3/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ MAP4K1 Q92918 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
SCHEMBL7246574 1.00 RET (0.38) RETTGM2TLK2ALKLRRK2
SCHEMBL5642755 0.90 ALK (0.42) RETTLK2ALKLRRK2ABL1
SCHEMBL5642508 0.89 MDM2 (0.36) RETTGM2LRRK2
SCHEMBL5511277 0.72 KDR (0.49) RETTLK2ALKLRRK2LMNA
SCHEMBL13712000 0.72 KDR (0.49) RETTLK2ALKLRRK2LMNA
SCHEMBL2439012 0.70 ALK (0.49) TLK2ALK
SCHEMBL5639627 0.66 MEN1 (0.42) RETTGM2ALK
SCHEMBL5520438 0.66 PIM1 (0.39) RETTGM2ALKNPC1LMNA
SCHEMBL2441251 0.65 ALK (0.58) RETTLK2ALKLRRK2LMNA
SCHEMBL2439011 0.65 ALK (0.58) RETTLK2ALKLRRK2LMNA

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
US-7179910-B2 3-(4-amidopyrrol-2-ylmethlidene)-2-indolinone derivatives as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 — — US disclosed
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