SCHEMBL24309929

SCHEMBL24309929

Cc1ccccc1-c1nc(NSc2cnn(C)c2)nc(Oc2ccc(C3CCN(C)CC3)cc2)c1F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 8/20 0.33
▸ MAP4K3 Q8IVH8 1/20 0.33
▸ IGF1R P08069 1/20 0.32
▸ CDK1 P06493 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CCND3 P30281 1/20 0.31
▸ CDK6 Q00534 1/20 0.31
▸ GHSR Q92847 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ TNKS O95271 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31

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
SCHEMBL24309769 0.91 MAP4K1 (0.32) MAP4K1MAP4K3IGF1R
SCHEMBL24310733 0.91 IGF1R (0.34) MAP4K1MAP4K3IGF1RKITFLT3
SCHEMBL24309840 0.90 MAP4K1 (0.32) MAP4K1MAP4K3IGF1R
SCHEMBL24310201 0.90 MAP4K1 (0.32) MAP4K1MAP4K3IGF1R
SCHEMBL24309869 0.88 CHEK1 (0.33) MAP4K1MAP4K3IGF1R
SCHEMBL24310088 0.88 IGF1R (0.31) MAP4K1MAP4K3IGF1R
SCHEMBL24309897 0.88 DHODH (0.32) MAP4K1MAP4K3IGF1R
SCHEMBL24310428 0.87 MAP4K1 (0.38) MAP4K1IGF1RCCNA2CCND3CDK6
SCHEMBL24309991 0.83 MAP4K1 (0.33) MAP4K1MAP4K3GSK3BDYRK1AKIT
SCHEMBL24309917 0.83 MAPK14 (0.33) IGF1R

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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