SCHEMBL5642755

SCHEMBL5642755

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 2/20 0.42
▸ FLT3 P36888 4/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDGFRB P09619 5/20 0.35
▸ FGFR1 P11362 4/20 0.35
▸ PRKAA2 P54646 3/20 0.35
▸ PRKAA1 Q13131 3/20 0.35
▸ KDR P35968 9/20 0.34
▸ FLT1 P17948 2/20 0.34
▸ HDAC3 O15379 2/20 0.34
▸ HDAC4 P56524 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC7 Q8WUI4 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC10 Q969S8 2/20 0.34
▸ HDAC11 Q96DB2 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC9 Q9UKV0 2/20 0.34

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
SCHEMBL5642508 0.92 MDM2 (0.36) FLT3PDGFRBKDREGFRRET
SCHEMBL5643779 0.90 RET (0.38) ALKTLK2ABL1RETLRRK2
SCHEMBL7246574 0.90 RET (0.38) ALKTLK2ABL1RETLRRK2
SCHEMBL2439012 0.79 ALK (0.49) ALKFLT3MEN1KMT2APDGFRB
SCHEMBL5518078 0.74 ALK (0.50) ALKFLT3MEN1KMT2APDGFRB
SCHEMBL2441251 0.73 ALK (0.58) ALKFLT3MEN1KMT2APDGFRB
SCHEMBL2439011 0.73 ALK (0.58) ALKFLT3MEN1KMT2APDGFRB
SCHEMBL6725660 0.73 ALK (0.52) ALKFLT3MEN1KMT2APDGFRB
SCHEMBL722802 0.73 ALK (0.52) ALKFLT3MEN1KMT2APDGFRB
SCHEMBL6722350 0.72 KDR (0.51) ALKFLT3PDGFRBFGFR1PRKAA2

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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