SCHEMBL21285573

SCHEMBL21285573

OCCn1ccc2ccc(N3CCN(c4cccc5nccn45)CC3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.41
▸ PARP1 P09874 3/20 0.36
▸ SORD Q00796 5/20 0.34
▸ DYRK1A Q13627 2/20 0.31
▸ DYRK1B Q9Y463 2/20 0.31
▸ DYRK3 O43781 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ DYRK2 Q92630 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ CHEK1 O14757 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ CSF1R P07333 1/20 0.30
▸ PRKACA P17612 1/20 0.30
▸ KDR P35968 1/20 0.30

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
SCHEMBL21268772 0.89 F10 (0.39) F10PARP1SORDDYRK1ADYRK1B
SCHEMBL21274154 0.88 F10 (0.38) F10PARP1
SCHEMBL21273857 0.87 F10 (0.37) F10PARP1
SCHEMBL21268750 0.87 F10 (0.39) F10PARP1CDK9KMT2APOLB
SCHEMBL21274174 0.87 F10 (0.37) F10PARP1SORDNPC1RAB9A
SCHEMBL21274077 0.85 F10 (0.36) F10PARP1NPC1RAB9A
SCHEMBL21268718 0.85 F10 (0.36) F10PARP1
SCHEMBL22822880 0.84 F10 (0.36) F10PARP1
SCHEMBL21274330 0.83 F10 (0.35) F10PARP1
SCHEMBL21274314 0.83 F10 (0.35) F10PARP1MAP4K4

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-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO disclosed
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