SCHEMBL3147182

SCHEMBL3147182

[CH2]c1c[nH]c2cnccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.56
NFATC1 O95644 6/20 0.56
GSK3B P49841 4/20 0.56
PDPK1 O15530 1/20 0.49
TGFBR1 P36897 1/20 0.49
IKBKE Q14164 1/20 0.49
CDK2 P24941 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
IGF1R P08069 1/20 0.46
HTR2A P28223 1/20 0.44
PIM1 P11309 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
IKBKB O14920 1/20 0.42
AURKA O14965 1/20 0.42
CHUK O15111 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TOP1 P11387 1/20 0.42
GABRA1 P14867 1/20 0.42

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
SCHEMBL21917255 0.75 DYRK1A (0.66) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL18746021 0.75 DYRK1A (0.56) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL29814872 0.75 PIM1 (0.59) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL1892610 0.75 PIM1 (0.59) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL1009087 0.75 DYRK1A (0.56) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL2619228 0.75 DYRK1A (0.56) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL245511 0.75 DYRK1A (0.61) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL19443754 0.75 DYRK1A (0.56) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL25421202 0.72 DYRK1A (1.00) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL30461701 0.72 DYRK1A (1.00) DYRK1ANFATC1GSK3BPDPK1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 EP disclosed
CN-101120011-A Macrolides PFIZER PROD INC (US) 2008-02-06 CN disclosed