SCHEMBL28488317

SCHEMBL28488317

CC(C)(C#N)c1cccc(Nc2ccnc(N3CCC[C@H](N)C3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAMK1D Q8IU85 15/20 0.67
▸ KCNH2 Q12809 2/20 0.55
▸ MAP2K5 Q13163 2/20 0.55
▸ MAP3K11 Q16584 2/20 0.55
▸ PIP5K1C O60331 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ CAMK1 Q14012 1/20 0.55
▸ PNCK Q6P2M8 1/20 0.55
▸ IDH2 P48735 1/20 0.53
▸ ROCK2 O75116 3/20 0.51
▸ MAP3K7 O43318 1/20 0.49
▸ CSF1R P07333 1/20 0.49
▸ PIM1 P11309 1/20 0.49
▸ MAPK3 P27361 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SYK P43405 1/20 0.49
▸ BLK P51451 1/20 0.49
▸ RIPK4 P57078 1/20 0.49
▸ CSNK2A1 P68400 1/20 0.49

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
SCHEMBL28488319 1.00 CAMK1D (0.67) CAMK1DKCNH2MAP2K5MAP3K11PIP5K1C
SCHEMBL23113626 0.81 CAMK1D (1.00) CAMK1DKCNH2MAP2K5MAP3K11PIP5K1C
SCHEMBL23113629 0.81 CAMK1D (1.00) CAMK1DKCNH2MAP2K5MAP3K11PIP5K1C
SCHEMBL28496392 0.78 CAMK1D (0.67) CAMK1DKCNH2MAP2K5MAP3K11IDH2
SCHEMBL28492869 0.77 CAMK1D (0.65) CAMK1DROCK2
SCHEMBL28492864 0.77 CAMK1D (0.65) CAMK1DROCK2
SCHEMBL28493008 0.76 CAMK1D (0.70) CAMK1DROCK2
SCHEMBL28493012 0.76 CAMK1D (0.70) CAMK1DROCK2
SCHEMBL28499389 0.76 CAMK1D (0.65) CAMK1DKCNH2MAP2K5MAP3K11PIP5K1C
SCHEMBL28499387 0.76 CAMK1D (0.65) CAMK1DKCNH2MAP2K5MAP3K11PIP5K1C

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-112119077-A Kinase inhibitors 曼彻斯特大学 2020-12-22 — — CN disclosed
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