SCHEMBL29777613

SCHEMBL29777613

Nc1cnn2c1CN(CCO)CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ WNT1 P04628 2/20 0.31
▸ GSK3B P49841 2/20 0.31
▸ DYRK1A Q13627 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ DUSP3 P51452 1/20 0.30
▸ PTPN5 P54829 1/20 0.30
▸ PTPN11 Q06124 1/20 0.30
▸ PRMT5 O14744 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
SCHEMBL29777616 0.80 MAP4K4 (0.36) ALOX15ALDH1A1KDM4EPRMT5WDR77
SCHEMBL16469156 0.74 LRRK2 (0.39) ALOX15WNT1GSK3BDYRK1APRMT5
SCHEMBL28558608 0.69 CREBBP (0.34) PRMT5WDR77
SCHEMBL5418762 0.69 ALDH1A1 (0.39) ALOX15ROCK2ROCK1CYP2C19MEN1
SCHEMBL20939544 0.67 PRMT5 (0.41) MEN1KMT2AALDH1A1KDM4EPRMT5
SCHEMBL16469651 0.65 — —
SCHEMBL29777611 0.65 LMNA (0.36) CYP2C19KMT2ACYP3A4TSHRALDH1A1
SCHEMBL27249876 0.65 PRMT5 (0.40) DRD2PRMT5WDR77
SCHEMBL5421915 0.64 ALOX15 (0.36) ALOX15ROCK2ROCK1CYP2C19MEN1
SCHEMBL17045302 0.64 CYP11B1 (0.40) —

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-108948019-B Focal adhesion kinase inhibitors and uses thereof 广东东阳光药业有限公司 2022-07-08 — — CN disclosed
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