SCHEMBL16230350

SCHEMBL16230350

CCCC(Nc1nc(Cl)ncc1C)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ VDR P11473 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ USP1 O94782 2/20 0.34
▸ WDR48 Q8TAF3 2/20 0.34
▸ GCG P01275 2/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ CFTR P13569 1/20 0.33
▸ GOPC Q9HD26 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN8A Q9UQD0 1/20 0.33
▸ RPS6KB1 P23443 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
SCHEMBL906025 1.00 GRM5 (0.36) GRM5LMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL28721300 0.77 CRHR1 (0.46) LMNAKDM4EUSP1WDR48P2RX3
SCHEMBL29608562 0.77 CRHR1 (0.46) LMNAKDM4EUSP1WDR48P2RX3
SCHEMBL12107186 0.74 PDE4D (0.43) SMN1; SMN2KDM4EGAAUSP1WDR48
SCHEMBL14670409 0.74 EGFR (0.43) SMN1; SMN2CYP19A1P2RX3CFTRGOPC
SCHEMBL906176 0.74 CSF1R (0.46) KDM4ECYP19A1CFTRGOPCKCNN4
SCHEMBL28763820 0.74 CSF1R (0.46) KDM4ECYP19A1CFTRGOPCKCNN4
SCHEMBL14670663 0.74 USP1 (0.51) LMNASMN1; SMN2USP1WDR48P2RX3
SCHEMBL14670585 0.74 USP1 (0.51) LMNASMN1; SMN2USP1WDR48P2RX3
SCHEMBL30930030 0.74 USP1 (0.51) LMNASMN1; SMN2USP1WDR48P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2277865-B1 Phenyl-substituted 6-ring nitrogen-heterocycles as microtubule polymerisation inhibitors YM BIOSCIENCES AUSTRALIA PTY (AU) 2014-11-12 — — EP disclosed
CN-102127056-B Tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY 2013-08-21 — — CN disclosed
CN-1890218-B Tubulin inhibitors CYTOPIA RES PTY LTD 2011-08-03 — — CN disclosed
CN-102127056-A Tubulin inhibitors CYTOPIA RES PTY LTD 2011-07-20 — — CN disclosed
CN-1890218-A Tubulin inhibitors CYTOPIA RES PTY LTD (AU) 2007-01-03 — — CN disclosed
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