SCHEMBL24309503

SCHEMBL24309503

CCc1c(-c2ccccc2C)nc(N[S+]([O-])c2cnn(C)c2)nc1-c1ccccc1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.34
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ IGF1R P08069 2/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ HEXA P06865 1/20 0.31
▸ HEXB P07686 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.30
▸ AXL P30530 1/20 0.30
▸ MERTK Q12866 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
SCHEMBL24310071 0.81 LCK (0.35) IGF1RJAK3
SCHEMBL24310802 0.76 IGF1R (0.31) IGF1R
SCHEMBL24309589 0.76 EGFR (0.34) JAK2IGF1RJAK3
SCHEMBL29566902 0.76 HTR1A (0.40) KDM5AKDM4E
SCHEMBL24309497 0.76 HTR1A (0.40) KDM5AKDM4E
SCHEMBL24309785 0.73 MAP4K1 (0.33) IGF1R
SCHEMBL24309682 0.70 CCNT1 (0.32) TLR8
SCHEMBL24310066 0.70 HTR1A (0.38) KDM5AJAK2KDM4E
SCHEMBL26811522 0.69 HTR1A (0.37) KDM5AKDM4E
SCHEMBL24310383 0.68 KDM5A (0.32) KDM5AKDM4EIGF1R

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
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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