SCHEMBL22270657

SCHEMBL22270657

CNc1ccc(-c2nccnc2N[C@@H](C)c2ccc(F)cc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 1/20 0.39
▸ GCGR P47871 1/20 0.38
▸ MDM2 Q00987 4/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ APP P05067 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ P2RX7 Q99572 3/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ GCG P01275 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
SCHEMBL19205663 0.87 SOS1 (0.39) SOS1MAPK14LMNATP53P2RX7
SCHEMBL19205662 0.87 SOS1 (0.39) SOS1MAPK14LMNATP53P2RX7
SCHEMBL19205805 0.83 TAAR1 (0.39) SOS1GCGRMAPK14LMNATP53
SCHEMBL19205804 0.83 TAAR1 (0.39) SOS1GCGRMAPK14LMNATP53
SCHEMBL19205809 0.76 RORC (0.39) MAPK14
SCHEMBL19205808 0.76 RORC (0.39) MAPK14
SCHEMBL22270677 0.76 ATP1A1 (0.43) LMNAPTGDR2
SCHEMBL22270670 0.74 DYRK1A (0.43) SOS1LMNATP53
SCHEMBL18485915 0.74 PIK3CD (0.36) APPTP53PIK3CD
SCHEMBL19205789 0.74 SOS1 (0.41) SOS1MAPK14PIK3CDEGFR

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
EP-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 — — EP disclosed
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