SCHEMBL13330001

SCHEMBL13330001

CCCCCCCCNc1nc(C)cc(Cl)n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DNM2 P50570 9/20 0.64
▸ KMT2A Q03164 3/20 0.53
▸ MAPK1 P28482 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KCNH3 Q9ULD8 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ TLR8 Q9NR97 1/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL9376298 0.93 DNM2 (0.55) DNM2KMT2AMAPK1ALDH1A1LMNA
SCHEMBL2574542 0.88 KMT2A (0.56) DNM2KMT2AMAPK1ALDH1A1LMNA
SCHEMBL12963418 0.86 KMT2A (0.50) DNM2KMT2AMAPK1ALDH1A1LMNA
SCHEMBL10811629 0.83 KMT2A (0.49) DNM2KMT2AMAPK1ALDH1A1LMNA
SCHEMBL13329946 0.82 DNM2 (0.81) DNM2KMT2AMAPK1ALDH1A1LMNA
SCHEMBL13329945 0.82 DNM2 (0.81) DNM2KMT2AMAPK1ALDH1A1LMNA
SCHEMBL9589312 0.81 DNM2 (0.63) DNM2KMT2AMAPK1ALDH1A1LMNA
SCHEMBL11162964 0.81 DNM2 (0.64) DNM2KMT2AMAPK1ALDH1A1LMNA
SCHEMBL13330002 0.81 DNM2 (0.64) DNM2KMT2AMAPK1ALDH1A1LMNA
SCHEMBL1194281 0.80 DNM2 (0.78) DNM2KMT2AMAPK1ALDH1A1LMNA

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
US-7722893-B2 Use of substitute 2,4-bis (alkylamino) pyrimidines or quinzolines as antimicrobials CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 — — US disclosed
US-7722893-B2 Use of substitute 2,4-bis (alkylamino) pyrimidines or quinzolines as antimicrobials CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 — — US disclosed
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