SCHEMBL24309516

SCHEMBL24309516

Cc1cc(C)c(-c2cc(Oc3ccc(N4CCNCC4)cc3)nc(NSc3cnn(C)c3)n2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.35
▸ LTA4H P09960 4/20 0.34
▸ ACVR1 Q04771 2/20 0.33
▸ ADRB1 P08588 2/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HTR3D Q70Z44 1/20 0.33
▸ HTR3C Q8WXA8 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ PDGFRB P09619 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ BMPR1B O00238 1/20 0.32
▸ BMPR1A P36894 1/20 0.32
▸ ACVRL1 P37023 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
SCHEMBL24310587 0.93 FLT3 (0.37) FLT3LTA4HACVR1ADRB1HTR3E
SCHEMBL24309866 0.90 FLT3 (0.36) FLT3LTA4HACVR1ADRB1HTR3E
SCHEMBL24309676 0.88 FLT3 (0.38) FLT3LTA4HACVR1CDK2PDGFRB
SCHEMBL24309611 0.86 CDK1 (0.34) FLT3LTA4HACVR1ADRB1HTR3E
SCHEMBL24309743 0.84 LTA4H (0.41) FLT3LTA4HACVR1ADRB1HTR3E
SCHEMBL24310202 0.84 PLK4 (0.38) MET
SCHEMBL24310395 0.84 HTR3A (0.39) ACVR1ADRB1HTR3EHTR3BHTR3A
SCHEMBL24309667 0.83 FLT3 (0.36) FLT3LTA4HACVR1TGFBR1MAPK10
SCHEMBL24309512 0.83 FLT3 (0.36) FLT3LTA4HACVR1CDK4CCND1
SCHEMBL24309698 0.82 CDK4 (0.37) FLT3LTA4HADRB1HTR3EHTR3B

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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