SCHEMBL30994012

SCHEMBL30994012

Cc1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c2nnc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.41
EGFR P00533 3/20 0.41
ABL1 P00519 2/20 0.41
ABL2 P42684 2/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
HCAR1 Q9BXC0 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
FPR2 P25090 1/20 0.38
USP30 Q70CQ3 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND2 P30279 1/20 0.37
CCND3 P30281 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL30994180 0.90 SRC (0.43) SRCEGFRABL1ABL2JAK2
SCHEMBL30994150 0.89 SRC (0.41) SRCEGFRABL1ABL2JAK2
SCHEMBL30994439 0.89 SRC (0.42) SRCEGFRABL1ABL2JAK2
SCHEMBL30994221 0.87 JAK2 (0.40) SRCEGFRABL1ABL2JAK2
SCHEMBL30994103 0.87 MEN1 (0.43) SRCEGFRABL1ABL2JAK2
SCHEMBL30994032 0.81 SRC (0.42) SRCEGFRABL1ABL2JAK2
SCHEMBL30994255 0.81 HCAR1 (0.49) SRCEGFRABL1ABL2JAK2
SCHEMBL30994390 0.80 JAK2 (0.40) JAK2JAK1HCAR1MEN1KMT2A
SCHEMBL31006630 0.79 NR3C1 (0.41) SRCEGFRJAK2JAK1FPR2
SCHEMBL19731467 0.78 SRC (0.54) SRCEGFRABL1ABL2HCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4656635-A1 SUBSTITUTED BENZENE COMPOUND Daiichi Sankyo Company, Limited (JP) 2025-12-03 EP disclosed
WO-2024157953-A1 SUBSTITUTED BENZENE COMPOUND 第一三共株式会社 2024-08-02 WO disclosed