SCHEMBL29537607

SCHEMBL29537607

COc1ccc2[nH]cc(C=C3C(=O)Nc4ccc(NC(=O)CCN5CCCCC5)cc43)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 1.00
▸ PAK1 Q13153 14/20 0.78
▸ NTRK1 P04629 3/20 0.55
▸ FLT3 P36888 3/20 0.55
▸ NTRK3 Q16288 2/20 0.55
▸ NTRK2 Q16620 2/20 0.55
▸ PDGFRB P09619 2/20 0.55
▸ KDR P35968 2/20 0.55
▸ PRKD3 O94806 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ RET P07949 1/20 0.55
▸ LTK P29376 1/20 0.55
▸ MAP2K2 P36507 1/20 0.55
▸ CSNK1A1 P48729 1/20 0.55
▸ CDK8 P49336 1/20 0.55
▸ CDK7 P50613 1/20 0.55
▸ MAP2K1 Q02750 1/20 0.55
▸ MST1R Q04912 1/20 0.55
▸ AURKB Q96GD4 1/20 0.55
▸ CLK4 Q9HAZ1 1/20 0.55

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
SCHEMBL29355210 1.00 MAPK1 (1.00) MAPK1PAK1NTRK1FLT3NTRK3
SCHEMBL8428761 1.00 MAPK1 (1.00) MAPK1PAK1NTRK1FLT3NTRK3
SCHEMBL6266403 1.00 MAPK1 (1.00) MAPK1PAK1NTRK1FLT3NTRK3
SCHEMBL8415627 0.87 PAK1 (1.00) MAPK1PAK1NTRK1FLT3NTRK3
SCHEMBL8415630 0.87 PAK1 (1.00) MAPK1PAK1NTRK1FLT3NTRK3
SCHEMBL8808140 0.86 PAK1 (0.82) MAPK1PAK1NTRK1FLT3NTRK3
SCHEMBL8585963 0.86 PAK1 (0.82) MAPK1PAK1NTRK1FLT3NTRK3
SCHEMBL8411239 0.82 MAPK1 (0.70) MAPK1PAK1NTRK1FLT3NTRK3
SCHEMBL8411247 0.82 MAPK1 (0.70) MAPK1PAK1NTRK1FLT3NTRK3
Hydrochloric Acid SCHEMBL7554275 0.80 PAK1 (0.77) MAPK1PAK1FLT3PDGFRBKDR

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-11286469-B2 Combination chemotherapy for the treatment of cancer WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2022-03-29 — — US claimed
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