SCHEMBL30126244

SCHEMBL30126244

CC(C)(C)OC(=O)N1CCN(c2cc3c(Cl)ncnc3cn2)CC12CC2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 7/20 0.44
▸ JAK3 P52333 3/20 0.44
▸ MAP4K4 O95819 2/20 0.37
▸ GPR119 Q8TDV5 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ ADK P55263 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ KIT P10721 2/20 0.33
▸ EIF2AK4 Q9P2K8 1/20 0.33
▸ CRBN Q96SW2 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
SCHEMBL30125727 0.89 RET (0.45) RETJAK3MAP4K4GPR119CYP11B2
SCHEMBL30126115 0.81 JAK3 (0.42) RETJAK3MAP4K4GPR119
SCHEMBL30126501 0.81 EGFR (0.47) RETADK
SCHEMBL30126479 0.80 ERBB2 (0.39) RETJAK3
SCHEMBL31713482 0.79 RET (0.52) RETJAK3GPR119ADKEIF2AK4
SCHEMBL30126746 0.77 JAK3 (0.44) RETJAK3MAP4K4GPR119PIK3CD
SCHEMBL22638913 0.76 GPR119 (0.59) RETJAK3GPR119
SCHEMBL31401450 0.76 RET (0.46) RETJAK3GPR119CYP11B2CRBN
SCHEMBL30126087 0.76 JAK3 (0.43) RETJAK3MAP4K4
SCHEMBL31713536 0.75 JAK3 (0.44) RETJAK3GPR119EIF2AK4

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-2022266458-A1 6-HETEROCYCLOALKYL-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 — — WO disclosed
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