SCHEMBL21067809

SCHEMBL21067809

NCCNc1nnc(-c2ccc(F)c(F)c2Nc2ccc(I)cc2F)o1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.46
MAP2K2 P36507 13/20 0.46
PIM1 P11309 1/20 0.42
CAMK2B Q13554 1/20 0.42
BRAF P15056 1/20 0.39
MAPK1 P28482 1/20 0.39
MAP2K5 Q13163 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL6187892 0.92 MAP2K1 (0.45) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6208327 0.92 MAP2K1 (0.52) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6398520 0.91 PIM1 (0.46) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6399813 0.90 MAP2K1 (0.43) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6187354 0.90 MAP2K1 (0.48) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6399775 0.89 MAP2K1 (0.46) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL24758444 0.89 MAP2K1 (0.43) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6186483 0.89 MAP2K1 (0.47) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6208038 0.89 PIM1 (0.45) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6188396 0.89 MAP2K1 (0.43) MAP2K1MAP2K2PIM1CAMK2BBRAF

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-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed