SCHEMBL3223932

SCHEMBL3223932

NC(=O)c1sc(N)nc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.39
LIMK1 P53667 5/20 0.37
IKBKB O14920 4/20 0.37
CHUK O15111 2/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
BTK Q06187 1/20 0.36
HPGD P15428 1/20 0.36
PDPK1 O15530 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GFER P55789 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CDC7 O00311 2/20 0.34

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
SCHEMBL8627631 0.81 ALDH1A1 (0.42) CCNA2CDK2ALDH1A1MAPTCYP1A2
SCHEMBL2616362 0.79 ALDH1A1 (0.46) ALDH1A1MAPTCYP1A2HPGDGFER
SCHEMBL12661728 0.77 IKBKB (0.42) CCNA2CDK2ALDH1A1MAPTLIMK1
SCHEMBL304332 0.77 ALDH1A1 (0.63) ALDH1A1MAPTCYP1A2LIMK1IKBKB
SCHEMBL1477708 0.77 CCNA2 (0.41) CCNA2CDK2ALDH1A1MAPTCYP1A2
SCHEMBL1477709 0.77 CCNA2 (0.41) CCNA2CDK2ALDH1A1MAPTLIMK1
SCHEMBL6845033 0.77 CCNA2 (0.41) CCNA2CDK2MAPTLIMK1IKBKB
SCHEMBL11330712 0.73 ALDH1A1 (0.41) CDK2ALDH1A1MAPTCYP1A2LIMK1
SCHEMBL164314 0.73 LMNA (0.61) CCNA2CDK2ALDH1A1MAPTCYP1A2
SCHEMBL255872 0.70 CCNA2 (0.39) CCNA2CDK2ALDH1A1MAPTLIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010007389-A1 5 -AMIDOTHIAZOLE DERIVATIVES AND THEIR USE AS CHECKPOINT KINASE INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-01-21 WO disclosed
WO-2010007389-A1 5 -AMIDOTHIAZOLE DERIVATIVES AND THEIR USE AS CHECKPOINT KINASE INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-01-21 WO disclosed