SCHEMBL9217028

SCHEMBL9217028

OCCNc1cc(Cl)nc(Cl)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.69
CYP2C19 P33261 1/20 0.69
CDC7 O00311 1/20 0.43
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
ESR1 P03372 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.41
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
HRH4 Q9H3N8 3/20 0.39

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
SCHEMBL305259 0.81 CYP2D6 (0.65) CYP2D6CYP2C19CDC7ROCK2MAP4K4
SCHEMBL22228324 0.81 ALDH1A1 (0.54) CYP2D6CYP2C19ESR1ALDH1A1HTT
SCHEMBL8053292 0.81 CYP2D6 (1.00) CYP2D6CYP2C19CDC7ROCK2MAP4K4
SCHEMBL15719830 0.81 ESR1 (0.47) CYP2D6CYP2C19ESR1ALDH1A1SMN1; SMN2
SCHEMBL14662023 0.81 CYP2D6 (0.46) CYP2D6CYP2C19CDC7ROCK2MAP4K4
Hydrochloric Acid SCHEMBL8049480 0.80 CYP2D6 (0.97) CYP2D6CYP2C19CDC7ROCK2MAP4K4
SCHEMBL11278078 0.79 CYP2D6 (0.61) CYP2D6CYP2C19CDC7ROCK2MAP4K4
SCHEMBL23299899 0.78 CYP2D6 (0.60) CYP2D6CYP2C19CDC7ROCK2MAP4K4
SCHEMBL14656478 0.78 CYP2D6 (0.44) CYP2D6CYP2C19CDC7ROCK2MAP4K4
SCHEMBL3877330 0.78 CYP2D6 (0.59) CYP2D6CYP2C19CDC7ROCK2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727921-A1 DUAL RAF AND TUBULIN INHIBITORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2026-04-22 EP disclosed
EP-4727922-A1 DUAL RAF AND TUBULIN INHIBITORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2026-04-22 EP disclosed
WO-2024263460-A1 DUAL RAF AND TUBULIN INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2024-12-26 WO disclosed
WO-2024258917-A1 DUAL RAF AND TUBULIN INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2024-12-19 WO disclosed
EP-2948452-B1 2,3-DIHYDROIMIDAZOL[1,2-C]PYRIMIDIN-5(1H)-ONE BASED LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 (LP-PLA2) INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-08-09 EP disclosed
EP-0633886-A1 PHARMACEUTICALLY ACTIVE BICYCLIC-HETEROCYCLIC AMINES PHARMACIA & UPJOHN COMPANY (US) 1995-01-18 EP disclosed