SCHEMBL27123583

SCHEMBL27123583

CCN1C(C)CN(c2nnc3cnc4ccc(-c5ccc(N6CCC(N(C)C)CC6)c(C(F)(F)F)c5)cc4n23)C[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 12/20 0.37
▸ PIK3CB P42338 10/20 0.37
▸ ATR Q13535 12/20 0.36
▸ ATRIP Q8WXE1 10/20 0.36
▸ ATM Q13315 9/20 0.36
▸ MELK Q14680 1/20 0.34
▸ MTOR P42345 5/20 0.34
▸ SERPINA2 P20848 2/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ EML4 Q9HC35 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ CSF1R P07333 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ MCHR1 Q99705 1/20 0.32
▸ PIK3CA P42336 1/20 0.32

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
SCHEMBL21541796 1.00 PRKDC (0.37) PRKDCPIK3CBATRATRIPATM
SCHEMBL27124103 0.91 ATR (0.39) PRKDCPIK3CBATRATRIPATM
SCHEMBL21541791 0.91 ATR (0.39) PRKDCPIK3CBATRATRIPATM
SCHEMBL21541741 0.89 ATR (0.38) PRKDCPIK3CBATRATRIPATM
SCHEMBL27127196 0.89 ATR (0.38) PRKDCPIK3CBATRATRIPATM
SCHEMBL21541859 0.89 PRKDC (0.39) PRKDCPIK3CBATRATRIPATM
SCHEMBL21541730 0.88 PRKDC (0.40) PRKDCPIK3CBATRATRIPATM
SCHEMBL27132009 0.88 EML4 (0.34) MELKMTORHSD11B1EML4ALK
SCHEMBL21541766 0.88 EML4 (0.34) MELKMTORHSD11B1EML4ALK
SCHEMBL21541732 0.87 PRKDC (0.40) PRKDCPIK3CBATRATRIPATM

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-3567041-B1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF IMPACT THERAPEUTICS SHANGHAI INC (CN) 2023-12-27 — — EP disclosed
Send feedback