SCHEMBL30164490

SCHEMBL30164490

CC(C)c1cnc(NCCN(C)C)c2cnc(Cl)cc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 2/20 0.39
GAA P10253 1/20 0.39
ALPG P10696 1/20 0.39
FLT3 P36888 4/20 0.39
HRH4 Q9H3N8 1/20 0.37
POLB P06746 2/20 0.36
RAD52 P43351 1/20 0.36
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAT2A P31153 1/20 0.33
TOP2A P11388 1/20 0.33
BPTF Q12830 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
SCHEMBL24810572 1.00 KDM4E (0.40) KDM4ERAB9ATP53GAAALPG
SCHEMBL30865632 0.82 KAT2B (0.36)
SCHEMBL24811599 0.82
SCHEMBL24811604 0.82 KAT2B (0.36)
SCHEMBL30865601 0.80 KCNJ5 (0.37) HRH4POLBP2RX3P2RX2MAT2A
SCHEMBL24811598 0.80 KCNJ5 (0.37) HRH4POLBP2RX3P2RX2MAT2A
SCHEMBL30865637 0.77 MAPK1 (0.41) KDM4EGAAHRH4RAD52
SCHEMBL24810236 0.77 MAPK1 (0.41) KDM4EGAAHRH4RAD52
SCHEMBL29829100 0.72 HRH4 (0.43) KDM4ERAB9ATP53GAAALPG
SCHEMBL27030702 0.72 HRH4 (0.43) KDM4ERAB9ATP53GAAALPG

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
CN-117916232-A Heterocyclic EGFR inhibitors for the treatment of cancer 缆图药品公司 2024-04-19 CN disclosed
WO-2022271749-A1 HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER BLUEPRINT MEDICINES CORPORATION (US) 2022-12-29 WO disclosed