SCHEMBL29614332

SCHEMBL29614332

c1cc(NCc2ccc(-c3cnn(C4COC4)c3)cc2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.47
▸ KIT P10721 9/20 0.42
▸ LRRK2 Q5S007 1/20 0.39
▸ NTRK1 P04629 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ EIF4E P06730 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ TTK P33981 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.34
▸ EED O75530 1/20 0.34
▸ RBBP4 Q09028 1/20 0.34
▸ SUZ12 Q15022 1/20 0.34
▸ EZH2 Q15910 1/20 0.34
▸ AEBP2 Q6ZN18 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 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
SCHEMBL29615418 0.80 KIT (0.51) MKNK1KIT
SCHEMBL29868714 0.80 KIT (0.51) MKNK1KIT
SCHEMBL28862512 0.73 KIT (0.48) MKNK1KITLRRK2PIM1EIF4E
SCHEMBL28862404 0.72 KIT (0.77) KIT
SCHEMBL29615287 0.72 KIT (0.77) KIT
SCHEMBL22918771 0.70 MKNK1 (0.38) MKNK1KITLRRK2NTRK1PIM1
SCHEMBL28862445 0.68 EIF4E (0.42) MKNK1KITPIM1EIF4EMKNK2
SCHEMBL7132304 0.68 CXCR4 (0.50) HDAC4HDAC1HDAC6
SCHEMBL29868735 0.68 KIT (0.52) MKNK1KITGPR55
SCHEMBL16522694 0.66 KDM4E (0.61) MKNK2

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-114174293-A 4- (imidazo [1,2-a ] pyridin-3-yl) -pyrimidine derivatives 默克专利股份公司 2022-03-11 — — CN claimed
CN-114174293-A 4- (imidazo [1,2-a ] pyridin-3-yl) -pyrimidine derivatives 默克专利股份公司 2022-03-11 — — CN disclosed
Send feedback