SCHEMBL30096573

SCHEMBL30096573

Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ORAI1 Q96D31 6/20 0.41
▸ STIM1 Q13586 4/20 0.41
▸ FGFR2 P21802 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ TRPV3 Q8NET8 1/20 0.36
▸ RIPK2 O43353 1/20 0.35
▸ RIPK3 Q9Y572 1/20 0.35
▸ PTGES O14684 1/20 0.34
▸ PDE5A O76074 1/20 0.33
▸ CHRNB2 P17787 2/20 0.33
▸ CHRNA4 P43681 2/20 0.33
▸ KDM5B Q9UGL1 1/20 0.32
▸ WEE1 P30291 1/20 0.32

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
SCHEMBL15021833 1.00 ORAI1 (0.41) ORAI1STIM1FGFR2FGFR3TRPV3
SCHEMBL15751092 0.93 ORAI1 (0.45) ORAI1STIM1FGFR2FGFR3TRPV3
SCHEMBL15750816 0.88 ORAI1 (0.43) ORAI1STIM1FGFR2FGFR3PTGES
SCHEMBL30096544 0.85 STIM1 (0.38) ORAI1STIM1FGFR2FGFR3TRPV3
SCHEMBL15021884 0.85 STIM1 (0.38) ORAI1STIM1FGFR2FGFR3TRPV3
SCHEMBL15021817 0.85 TRPV3 (0.39) ORAI1STIM1TRPV3RIPK2RIPK3
SCHEMBL15020867 0.84 ORAI1 (0.55) ORAI1STIM1FGFR2FGFR3PTGES
SCHEMBL15021651 0.81 CDK5 (0.43) ORAI1STIM1FGFR2FGFR3TRPV3
SCHEMBL15751234 0.80 ORAI1 (0.52) ORAI1FGFR2FGFR3PTGESCHRNB2
SCHEMBL15021819 0.77 TRPV3 (0.42) ORAI1STIM1TRPV3PDE5AKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4465988-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS Calcimedica, Inc. (US) 2024-11-27 — — EP disclosed
CN-118871110-A Methods and compositions for treating inflammatory lesions of the lung 钙医学公司 2024-10-29 — — CN disclosed
WO-2023141523-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS CALCIMEDICA, INC. (US) 2023-07-27 — — WO disclosed
CN-115835878-A Methods and compositions for treating acute lung injury and acute respiratory distress syndrome 钙医学公司 2023-03-21 — — CN disclosed
EP-4121089-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME Calcimedica, Inc. (US) 2023-01-25 — — EP disclosed
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