SCHEMBL29567137

SCHEMBL29567137

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2cc(N3CCN(C)CC3)ccc2F)c1C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 2/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ TNK2 Q07912 5/20 0.35
▸ BRD4 O60885 3/20 0.34
▸ PTK2 Q05397 3/20 0.34
▸ DCLK1 O15075 2/20 0.34
▸ MAPK7 Q13164 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ EGFR P00533 2/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.33
▸ INSR P06213 1/20 0.33
▸ MET P08581 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
SCHEMBL29567138 1.00 RAD52 (0.36) RAD52IGF1RTNK2BRD4PTK2
SCHEMBL24310497 1.00 RAD52 (0.36) RAD52IGF1RTNK2BRD4PTK2
SCHEMBL29566715 0.90 HTR1A (0.38) RAD52IGF1RTNK2BRD4PTK2
SCHEMBL24310777 0.90 HTR1A (0.38) RAD52IGF1RTNK2BRD4PTK2
SCHEMBL29566963 0.90 RAD52 (0.36) RAD52BRD4JAK3MAP4K1
SCHEMBL24310187 0.90 RAD52 (0.36) RAD52BRD4JAK3MAP4K1
SCHEMBL24310530 0.89 RAD52 (0.34) RAD52IGF1RBRD4EGFRMAP4K1
SCHEMBL29566997 0.89 RAD52 (0.34) RAD52IGF1RBRD4EGFRMAP4K1
SCHEMBL24310787 0.88 AXL (0.33) RAD52BRD4EGFRJAK3INSR
SCHEMBL29567201 0.88 AXL (0.33) RAD52BRD4EGFRJAK3INSR

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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