SCHEMBL29566952

SCHEMBL29566952

CNC(=O)c1ccc(Oc2cc(-c3c(C)cccc3C)nc(NS(=O)(=O)c3cnn(C)c3)n2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 4/20 0.38
▸ EGFR P00533 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ PTK2 Q05397 1/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ADCY10 Q96PN6 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ CCR2 P41597 1/20 0.33

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
SCHEMBL24310553 1.00 FGFR1 (0.38) FGFR1EGFRKDRBRD4CREBBP
SCHEMBL26810170 0.93 EGFR (0.38) FGFR1EGFRKDRBRD4CREBBP
SCHEMBL26810181 0.92 BRD4 (0.39) FGFR1EGFRKDRBRD4
SCHEMBL29566567 0.92 BRD4 (0.38) FGFR1EGFRKDRBRD4PTK2
SCHEMBL24310099 0.92 BRD4 (0.38) FGFR1EGFRKDRBRD4PTK2
SCHEMBL26810183 0.91 CCR2 (0.37) FGFR1EGFRKDRBRD4IGF1R
SCHEMBL26810272 0.90 EGFR (0.38) FGFR1EGFRKDRCREBBPTP53
SCHEMBL29566721 0.90 PTK2 (0.39) FGFR1EGFRKDRBRD4PTK2
SCHEMBL26810180 0.90 BRD4 (0.37) FGFR1EGFRKDRBRD4TP53
SCHEMBL26812018 0.90 PTK2 (0.39) FGFR1EGFRKDRBRD4PTK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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