SCHEMBL27864474

SCHEMBL27864474

CC(C(=O)C(C)N1CCN(C2CC(n3ccc4c(Cl)ncnc43)C2)CC1)N1CCN(C2CC(n3ccc4c(Cl)ncnc43)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 7/20 0.39
▸ KIF5B P33176 7/20 0.39
▸ KDR P35968 4/20 0.39
▸ PRMT5 O14744 3/20 0.38
▸ WDR77 Q9BQA1 3/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ CCDC6 Q16204 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ LYN P07948 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ BLK P51451 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ NNMT P40261 7/20 0.35
▸ PIP4K2A P48426 1/20 0.35

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
SCHEMBL1933318 0.84 RET (0.52) RETKIF5BKDRKCNH2CCDC6
SCHEMBL27880616 0.79 ADK (0.47) RETKIF5BKDRKCNH2CCDC6
SCHEMBL23892218 0.77 PRMT5 (0.47) PRMT5WDR77SLC22A12NNMTPIP4K2A
SCHEMBL1442008 0.77 UBA6 (0.35) RETKIF5BKDRPRMT5WDR77
SCHEMBL27864278 0.74 NNMT (0.33) RETKIF5BKDRPRMT5WDR77
SCHEMBL16769947 0.74 PRMT5 (0.44) PRMT5WDR77SLC22A12ABL1NNMT
SCHEMBL1795549 0.73 PRMT5 (0.45) PRMT5WDR77NNMT
SCHEMBL514777 0.72 GPR119 (0.43) KCNH2ACACBPIP4K2A
SCHEMBL21130182 0.71 PIP4K2A (0.40) PRMT5WDR77SLC22A12ACACBNNMT
SCHEMBL16967987 0.71 PIP4K2A (0.49) PRMT5WDR77SLC22A12SRCACACB

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
CN-102712648-A Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls NOVARTIS AG 2012-10-03 — — CN disclosed
CN-102596963-A Ether derivatives of bicyclic heteroaryls NOVARTIS AG 2012-07-18 — — CN disclosed
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