SCHEMBL30939888

SCHEMBL30939888

Oc1ccc2c3ccnc(C(F)(F)F)c3n(CCCN3CCOCC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 2/20 0.49
▸ DYRK2 Q92630 1/20 0.49
▸ SRC P12931 2/20 0.39
▸ CHEK1 O14757 3/20 0.38
▸ WEE1 P30291 3/20 0.38
▸ ESR1 P03372 2/20 0.38
▸ ESR2 Q92731 2/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ MAPK13 O15264 2/20 0.37
▸ MAPK12 P53778 2/20 0.37
▸ MAPK11 Q15759 2/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.36

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
SCHEMBL16123519 1.00 HASPIN (0.49) HASPINDYRK2SRCCHEK1WEE1
SCHEMBL30939873 0.98 HASPIN (0.52) HASPINDYRK2SRCCHEK1WEE1
SCHEMBL16123619 0.98 HASPIN (0.52) HASPINDYRK2SRCCHEK1WEE1
SCHEMBL30939941 0.95 HASPIN (0.47) HASPINDYRK2CHEK1WEE1ESR1
SCHEMBL16123614 0.95 HASPIN (0.47) HASPINDYRK2CHEK1WEE1ESR1
SCHEMBL30939883 0.88 HASPIN (0.49) HASPINDYRK2ESR1ESR2
SCHEMBL16102630 0.88 HASPIN (0.49) HASPINDYRK2ESR1ESR2
SCHEMBL30939917 0.86 HASPIN (0.48) HASPINDYRK2ESR1ESR2
SCHEMBL16101221 0.86 HASPIN (0.48) HASPINDYRK2ESR1ESR2
SCHEMBL16123501 0.85 HASPIN (0.69) HASPINDYRK2HPGD

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
CN-113416187-B Alkylamine harmine derivatives for promoting bone growth 奥斯菲治疗有限公司 2024-07-19 — — CN disclosed
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