SCHEMBL20635591

SCHEMBL20635591

COc1cc(-c2cnc3c(c2)CC(=O)N3C)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.45
MAP3K11 Q16584 5/20 0.44
BMPR1B O00238 2/20 0.42
BMPR1A P36894 2/20 0.42
ACVRL1 P37023 2/20 0.42
ACVR1 Q04771 2/20 0.42
TGFBR1 P36897 1/20 0.42
BRD4 O60885 1/20 0.41
CHEK2 O96017 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAK O14976 2/20 0.38
CSF1R P07333 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT3 P36888 1/20 0.38
CLK2 P49760 1/20 0.38
MAP2K5 Q13163 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
SCHEMBL721146 0.77 FLT3 (0.41) FYNMAP3K11BRD4CHEK2GAK
SCHEMBL19588442 0.76 FYN (0.38) FYNMAP3K11TGFBR1CHEK2
SCHEMBL20634204 0.76 MAP3K11 (0.46) FYNMAP3K11BRD4
SCHEMBL720602 0.72 CHEK1 (0.59) FYNMAP3K11BMPR1AACVRL1ACVR1
SCHEMBL8629038 0.70 CYP11B2 (0.36) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL8137963 0.69 HSD17B10 (0.41) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL26621580 0.69 CYP11B2 (0.36) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL30661603 0.69 CYP11B2 (0.36) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL27905885 0.68 GAK (0.46) FYNMAP3K11TGFBR1BRD4CHEK2
SCHEMBL11922155 0.67 KDM4E (0.36) BMPR1BBMPR1AACVRL1ACVR1TDP1

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-2925319-B1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIV ROCHESTER (US) 2019-01-09 EP disclosed