SCHEMBL19909246

SCHEMBL19909246

CCCOc1cccc(-c2cc3cc(NC)cnc3[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
KIT P10721 5/20 0.41
KDM4E B2RXH2 2/20 0.41
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
DHFR P00374 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL19909349 0.85 CCNB2 (0.55) IKBKBCHUKCCNB2CDK1CCNB1
SCHEMBL4925656 0.76 KIT (0.56) KITBRAF
SCHEMBL3319702 0.76 PDGFRB (0.45) MEN1MAPTKMT2AKITALDH1A1
SCHEMBL2978828 0.75 KIT (0.50) MAPTKITKDM4EALDH1A1LMNA
SCHEMBL2982155 0.74 CHEK1 (0.43) KITCCNB2CDK1CCNB1GSK3A
SCHEMBL5609143 0.73 APP (0.55) MEN1MAPTKMT2AKDM4EDHFR
SCHEMBL3322959 0.73 ABL1 (0.56) MAPTKITKDM4EALDH1A1LMNA
SCHEMBL4475824 0.73 MAPT (0.52) MEN1MAPTKMT2AKITKDM4E
SCHEMBL2980544 0.73 KIT (0.49) KIT
SCHEMBL4476999 0.73 KIT (0.49) MEN1MAPTKMT2AKITKDM4E

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-2935248-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-02-28 EP disclosed