SCHEMBL4592600

SCHEMBL4592600

COc1c[c]ccc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 8/20 0.57
▸ CDK9 P50750 8/20 0.57
▸ CCNA2 P20248 6/20 0.57
▸ CDK2 P24941 6/20 0.57
▸ IGF1R P08069 1/20 0.56
▸ TNIK Q9UKE5 6/20 0.51
▸ KCNH2 Q12809 3/20 0.51
▸ JAK2 O60674 2/20 0.51
▸ JAK3 P52333 1/20 0.51
▸ ZAP70 P43403 1/20 0.51
▸ ACVR1 Q04771 1/20 0.48
▸ MTOR P42345 1/20 0.47
▸ SMG1 Q96Q15 1/20 0.47

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
SCHEMBL13588456 0.81 JAK2 (0.67) CCNT1CDK9IGF1RTNIKKCNH2
Hydrochloric Acid SCHEMBL4383810 0.80 JAK2 (0.66) CCNT1CDK9IGF1RTNIKKCNH2
SCHEMBL8093455 0.80 JAK2 (0.61) CCNT1CDK9CDK2IGF1RTNIK
SCHEMBL4558092 0.80 JAK2 (0.54) CCNT1CDK9CCNA2CDK2IGF1R
SCHEMBL4518606 0.79 CCNT1 (0.60) CCNT1CDK9CCNA2CDK2IGF1R
SCHEMBL1668203 0.79 JAK2 (0.59) IGF1RTNIKKCNH2JAK2JAK3
SCHEMBL4159168 0.78 CDK2 (0.71) CCNT1CDK9CCNA2CDK2IGF1R
SCHEMBL4376766 0.78 JAK2 (0.72) CCNT1CDK9IGF1RJAK2JAK3
SCHEMBL4159803 0.77 CDK2 (0.72) CCNT1CDK9CCNA2CDK2IGF1R
SCHEMBL12801393 0.77 JAK2 (0.69) CCNT1CDK9IGF1RTNIKKCNH2

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
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 — — WO claimed
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